(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide

C16H14ClNO2 — CID 51057386

IUPAC(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-7-12(11-14(15)17)8-10-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-8+
InChIKeyOGUHWFSECGHCBU-CSKARUKUSA-N
MW287.75 g/mol
LogP4.00
Rot. Bonds4

About (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide

(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 51057386) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID51057386
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-7-12(11-14(15)17)8-10-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-8+
InChIKeyOGUHWFSECGHCBU-CSKARUKUSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chloro-4-methoxyphenyl)-N-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

(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
CID 65021560
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 874767
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-phenylprop-2-enamide
CID 2598603
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide (CID 51057386) is (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is OGUHWFSECGHCBU-CSKARUKUSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-15-9-7-12(11-14(15)17)8-10-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-8+.
What are the key properties of (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide?
(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 51057386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).