(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide

C17H15Cl2NO2 — CID 45051343

IUPAC(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1Cl
InChIInChI=1S/C17H15Cl2NO2/c1-11-6-8-14(13(18)10-11)20-16(21)9-7-12-4-3-5-15(22-2)17(12)19/h3-10H,1-2H3,(H,20,21)/b9-7+
InChIKeyZANRRSGUKBDPSR-VQHVLOKHSA-N
MW336.22 g/mol
LogP4.96
Rot. Bonds4

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

(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide (PubChem CID 45051343) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
PubChem CID45051343
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1Cl
InChIInChI=1S/C17H15Cl2NO2/c1-11-6-8-14(13(18)10-11)20-16(21)9-7-12-4-3-5-15(22-2)17(12)19/h3-10H,1-2H3,(H,20,21)/b9-7+
InChIKeyZANRRSGUKBDPSR-VQHVLOKHSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-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)-N-(2-chloro-4-methylphenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 7668459
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 45051319
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide (CID 45051343) is (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1Cl.
What is the InChIKey of (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide?
The InChIKey is ZANRRSGUKBDPSR-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-11-6-8-14(13(18)10-11)20-16(21)9-7-12-4-3-5-15(22-2)17(12)19/h3-10H,1-2H3,(H,20,21)/b9-7+.
What are the key properties of (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide?
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide has a molecular weight of 336.22 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 45051343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).