2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide

C16H13ClN2O2 — CID 2186728

IUPAC2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)15(20)9-10-19-14-4-2-1-3-13(14)16(18)21/h1-10,19H,(H2,18,21)/b10-9+
InChIKeyWANZGLAKGVXPBT-MDZDMXLPSA-N
MW300.75 g/mol
LogP3.25
Rot. Bonds5

About 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide

2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide (PubChem CID 2186728) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
PubChem CID2186728
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)15(20)9-10-19-14-4-2-1-3-13(14)16(18)21/h1-10,19H,(H2,18,21)/b10-9+
InChIKeyWANZGLAKGVXPBT-MDZDMXLPSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide 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

7-Chloro-4-hydroxyquinoline
CID 66593
Loviride
CID 3963
Benzamide, 5-chloro-2-(methylamino)-
CID 97387
2-(Methylamino)-5-chlorobenzophenone
CID 13925
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
8-Chloro-4-hydroxyquinoline
CID 265885
N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
6-Chloro-4-quinolinol
CID 220929
Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
CID 449080
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
Benzophenone, 2',5-dichloro-2-methylamino-
CID 21833
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide (CID 2186728) is 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide is NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The InChIKey is WANZGLAKGVXPBT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)15(20)9-10-19-14-4-2-1-3-13(14)16(18)21/h1-10,19H,(H2,18,21)/b10-9+.
What are the key properties of 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide has a molecular weight of 300.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzamide is sourced from PubChem (CID 2186728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).