3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C18H21ClN2O2 — CID 109022024

IUPAC3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C18H21ClN2O2/c1-13-15(19)7-5-8-16(13)20-11-10-18(22)21-12-14-6-3-4-9-17(14)23-2/h3-9,20H,10-12H2,1-2H3,(H,21,22)
InChIKeyICOVNIYLKZZPDJ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.78
Rot. Bonds7

About 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109022024) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109022024
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C18H21ClN2O2/c1-13-15(19)7-5-8-16(13)20-11-10-18(22)21-12-14-6-3-4-9-17(14)23-2/h3-9,20H,10-12H2,1-2H3,(H,21,22)
InChIKeyICOVNIYLKZZPDJ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide 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

N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 54807762
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 109022024) is 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCNc1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is ICOVNIYLKZZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-15(19)7-5-8-16(13)20-11-10-18(22)21-12-14-6-3-4-9-17(14)23-2/h3-9,20H,10-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109022024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).