3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

C20H23ClN2O3 — CID 113127843

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-12-17(21)6-9-19(14)23(15(2)24)11-10-20(25)22-13-16-4-7-18(26-3)8-5-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyIYLNFPLCKGNXNE-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.72
Rot. Bonds7

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 113127843) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID113127843
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-12-17(21)6-9-19(14)23(15(2)24)11-10-20(25)22-13-16-4-7-18(26-3)8-5-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyIYLNFPLCKGNXNE-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-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

3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (CID 113127843) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is IYLNFPLCKGNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-12-17(21)6-9-19(14)23(15(2)24)11-10-20(25)22-13-16-4-7-18(26-3)8-5-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113127843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).