3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C19H22ClNO3 — CID 45051387

IUPAC3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2cccc(OC)c2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-23-16-9-6-14(7-10-16)12-13-21-18(22)11-8-15-4-3-5-17(24-2)19(15)20/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,22)
InChIKeyYCCSGXZJDPOUJB-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.65
Rot. Bonds8

About 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 45051387) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID45051387
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2cccc(OC)c2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-23-16-9-6-14(7-10-16)12-13-21-18(22)11-8-15-4-3-5-17(24-2)19(15)20/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,22)
InChIKeyYCCSGXZJDPOUJB-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide 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 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 45051387) is 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2cccc(OC)c2Cl)cc1.
What is the InChIKey of 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is YCCSGXZJDPOUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-23-16-9-6-14(7-10-16)12-13-21-18(22)11-8-15-4-3-5-17(24-2)19(15)20/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 45051387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).