3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide

C20H23ClN2O4 — CID 113130031

IUPAC3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2cc(Cl)ccc2C)C(C)=O)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-5-6-15(21)11-17(13)22-20(25)9-10-23(14(2)24)18-12-16(26-3)7-8-19(18)27-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeySPQMJRSXIJZAOE-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.05
Rot. Bonds7

About 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide

3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 113130031) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID113130031
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2cc(Cl)ccc2C)C(C)=O)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-5-6-15(21)11-17(13)22-20(25)9-10-23(14(2)24)18-12-16(26-3)7-8-19(18)27-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeySPQMJRSXIJZAOE-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)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-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide (CID 113130031) is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide is COc1ccc(OC)c(N(CCC(=O)Nc2cc(Cl)ccc2C)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is SPQMJRSXIJZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-5-6-15(21)11-17(13)22-20(25)9-10-23(14(2)24)18-12-16(26-3)7-8-19(18)27-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide?
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 390.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).