2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide

C16H11ClN2O — CID 5207908

IUPAC2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
SMILESN#Cc1ccccc1NC(=O)C(Cl)=Cc1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14(10-12-6-2-1-3-7-12)16(20)19-15-9-5-4-8-13(15)11-18/h1-10H,(H,19,20)
InChIKeyYMVJEIZHCMCHMX-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide

2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide (PubChem CID 5207908) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
PubChem CID5207908
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
SMILESN#Cc1ccccc1NC(=O)C(Cl)=Cc1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14(10-12-6-2-1-3-7-12)16(20)19-15-9-5-4-8-13(15)11-18/h1-10H,(H,19,20)
InChIKeyYMVJEIZHCMCHMX-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide
CID 19648563
(2-cyanophenyl)urea
CID 13155570
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
[2-(2-cyanoanilino)-2-oxoethyl] (Z)-2-cyano-3-phenylprop-2-enoate
CID 2346093
[2-(2-cyanoanilino)-2-oxoethyl] 2-cyano-3-phenylprop-2-enoate
CID 4595087
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
methyl 4-[[(Z)-2-chloro-3-phenylprop-2-enoyl]amino]benzoate
CID 884962
2-[[(Z)-2-chloro-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 156597695
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide (CID 5207908) is 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide is N#Cc1ccccc1NC(=O)C(Cl)=Cc1ccccc1.
What is the InChIKey of 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide?
The InChIKey is YMVJEIZHCMCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14(10-12-6-2-1-3-7-12)16(20)19-15-9-5-4-8-13(15)11-18/h1-10H,(H,19,20).
What are the key properties of 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide?
2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide has a molecular weight of 282.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5207908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).