3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide

C18H14ClN3O2 — CID 5241148

IUPAC3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12(23)21-15-8-6-13(7-9-15)10-14(11-20)18(24)22-17-5-3-2-4-16(17)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyMTOGQBBUDRWSRQ-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide

3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide (PubChem CID 5241148) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
PubChem CID5241148
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12(23)21-15-8-6-13(7-9-15)10-14(11-20)18(24)22-17-5-3-2-4-16(17)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyMTOGQBBUDRWSRQ-UHFFFAOYSA-N
XLogP3.84
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-acetamidophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 7912146
N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
(E)-N-(2-chlorophenyl)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 24542423
(E)-N-(2-chlorophenyl)-2-cyano-3-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126232336
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
(E)-N-(2-chlorophenyl)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 99905060
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 7515839
(E)-3-(3-bromo-4-fluorophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 7967210
(E)-N-(2-chlorophenyl)-2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9333975
methyl 4-[[(Z)-3-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
CID 126260962
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide (CID 5241148) is 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide is CC(=O)Nc1ccc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide?
The InChIKey is MTOGQBBUDRWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-12(23)21-15-8-6-13(7-9-15)10-14(11-20)18(24)22-17-5-3-2-4-16(17)19/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide?
3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide has a molecular weight of 339.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 5241148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).