(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide

C17H16ClNO2 — CID 146312379

IUPAC(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-19(15-4-3-5-16(12-15)21-2)17(20)11-8-13-6-9-14(18)10-7-13/h3-12H,1-2H3/b11-8+
InChIKeyRNFPBRHMGNSMCT-DHZHZOJOSA-N
MW301.77 g/mol
LogP4.02
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 146312379) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID146312379
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-19(15-4-3-5-16(12-15)21-2)17(20)11-8-13-6-9-14(18)10-7-13/h3-12H,1-2H3/b11-8+
InChIKeyRNFPBRHMGNSMCT-DHZHZOJOSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide (CID 146312379) is (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide is COc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is RNFPBRHMGNSMCT-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-19(15-4-3-5-16(12-15)21-2)17(20)11-8-13-6-9-14(18)10-7-13/h3-12H,1-2H3/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 146312379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).