(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate

C17H13ClNO3- — CID 2190329

IUPAC(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C17H14ClNO3/c1-11-4-2-3-5-14(11)16(20)19-15(17(21)22)10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10+
InChIKeyOIYIAFHIIUDIFN-XNTDXEJSSA-M
MW314.75 g/mol
LogP2.17
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate

(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate (PubChem CID 2190329) has the molecular formula C17H13ClNO3- and a molecular weight of 314.75 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
PubChem CID2190329
Molecular FormulaC17H13ClNO3-
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C17H14ClNO3/c1-11-4-2-3-5-14(11)16(20)19-15(17(21)22)10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10+
InChIKeyOIYIAFHIIUDIFN-XNTDXEJSSA-M
XLogP2.17
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate 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

(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
(E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
CID 7481356
N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 40621986
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 6985024
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 889716
N-(4-chlorophenyl)-2-methylbenzohydrazide
CID 174751857
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 2247828
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(2R)-2-[[(Z)-2-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 2257706
2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate (CID 2190329) is (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate is Cc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-].
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate?
The InChIKey is OIYIAFHIIUDIFN-XNTDXEJSSA-M. The full InChI is InChI=1S/C17H14ClNO3/c1-11-4-2-3-5-14(11)16(20)19-15(17(21)22)10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate?
(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate has a molecular weight of 314.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 2190329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).