3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide

C16H11ClN2O — CID 966078

IUPAC3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1NC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18/h1-10H,(H,19,20)
InChIKeyHYQGJOQEGNMXFN-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.86
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide

3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide (PubChem CID 966078) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
PubChem CID966078
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1NC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18/h1-10H,(H,19,20)
InChIKeyHYQGJOQEGNMXFN-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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

3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
3-(4-chloro-3-nitrophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 960318
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide (CID 966078) is 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide is N#Cc1ccccc1NC(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide?
The InChIKey is HYQGJOQEGNMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18/h1-10H,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide has a molecular weight of 282.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 966078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).