N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

C16H11ClN2O — CID 3278531

IUPACN-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
SMILESN#CC(=Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-14-7-4-8-15(10-14)19-16(20)13(11-18)9-12-5-2-1-3-6-12/h1-10H,(H,19,20)
InChIKeyASJMMKCIIYGKKB-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.89
Rot. Bonds3

About N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide (PubChem CID 3278531) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
PubChem CID3278531
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC NameN-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
SMILESN#CC(=Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-14-7-4-8-15(10-14)19-16(20)13(11-18)9-12-5-2-1-3-6-12/h1-10H,(H,19,20)
InChIKeyASJMMKCIIYGKKB-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
(E)-3-(3-bromophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129765
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 35728453
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
CID 29021882
N-(3-chlorophenyl)-2-cyano-3-(3-cyano-4,5-dihydroxyphenyl)prop-2-enamide
CID 54450974
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
CID 119056356
(E)-N-(3-bromophenyl)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1366410
N-(3-chlorophenyl)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 7044224
(E)-N-[2-chloro-5-[(3-chlorophenyl)sulfamoyl]phenyl]-2-cyano-3-phenylprop-2-enamide
CID 6259731
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 40598329
N-(3-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide (CID 3278531) is N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide is N#CC(=Cc1ccccc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide?
The InChIKey is ASJMMKCIIYGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-7-4-8-15(10-14)19-16(20)13(11-18)9-12-5-2-1-3-6-12/h1-10H,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide?
N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide has a molecular weight of 282.73 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide is sourced from PubChem (CID 3278531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).