2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide

C17H14ClFN2O2 — CID 4947913

IUPAC2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O2/c1-11(22)20-16(9-12-5-3-2-4-6-12)17(23)21-13-7-8-15(19)14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyFITPALCLFFGMOT-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.59
Rot. Bonds4

About 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide

2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 4947913) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID4947913
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O2/c1-11(22)20-16(9-12-5-3-2-4-6-12)17(23)21-13-7-8-15(19)14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyFITPALCLFFGMOT-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-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

N-[(Z)-3-(3-chloro-4-fluoroanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 46496776
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
CID 21226623
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 35728453
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
N-[(Z)-3-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 21383645
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
N-[(Z)-3-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22189843
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
CID 54781463

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide (CID 4947913) is 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide is CC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is FITPALCLFFGMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-11(22)20-16(9-12-5-3-2-4-6-12)17(23)21-13-7-8-15(19)14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide?
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 332.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 4947913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).