(2R)-2-chloro-N-phenylpropanamide

Details

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Internal ID a74ed25f-5423-4547-8732-c3fc9d596ec1
Taxonomy Benzenoids > Benzene and substituted derivatives > Anilides
IUPAC Name (2R)-2-chloro-N-phenylpropanamide
SMILES (Canonical) CC(C(=O)NC1=CC=CC=C1)Cl
SMILES (Isomeric) C[C@H](C(=O)NC1=CC=CC=C1)Cl
InChI InChI=1S/C9H10ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)/t7-/m1/s1
InChI Key BWWXKHHVIAJJFM-SSDOTTSWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C9H10ClNO
Molecular Weight 183.63 g/mol
Exact Mass 183.0450916 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-chloro-N-phenylpropanamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.98% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 89.37% 94.73%
CHEMBL221 P23219 Cyclooxygenase-1 86.39% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.25% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.87% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.91% 93.56%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 81.65% 95.48%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 81.60% 94.23%
CHEMBL5028 O14672 ADAM10 81.31% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Huperzia serrata

Cross-Links

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PubChem 2434811
LOTUS LTS0119331
wikiData Q104947717