2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

C18H20ClN3O3 — CID 51242163

IUPAC2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11(20-13-4-6-14(7-5-13)21-12(2)23)18(24)22-15-8-9-17(25-3)16(19)10-15/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyOIKATTARPIHGBW-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 51242163) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID51242163
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11(20-13-4-6-14(7-5-13)21-12(2)23)18(24)22-15-8-9-17(25-3)16(19)10-15/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyOIKATTARPIHGBW-UHFFFAOYSA-N
XLogP3.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)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-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 51242163) is 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Nc2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is OIKATTARPIHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(20-13-4-6-14(7-5-13)21-12(2)23)18(24)22-15-8-9-17(25-3)16(19)10-15/h4-11,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 361.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 51242163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).