2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide

C18H20ClN3O3 — CID 17416791

IUPAC2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3/c1-11(18(24)22-14-6-4-13(19)5-7-14)20-16-10-15(21-12(2)23)8-9-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyVRAPTUOXTDQPCG-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.75
Rot. Bonds6

About 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide

2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide (PubChem CID 17416791) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
PubChem CID17416791
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3/c1-11(18(24)22-14-6-4-13(19)5-7-14)20-16-10-15(21-12(2)23)8-9-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyVRAPTUOXTDQPCG-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-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)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

(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]propanamide
CID 46527155
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474949
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474947
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide (CID 17416791) is 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide is COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The InChIKey is VRAPTUOXTDQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(18(24)22-14-6-4-13(19)5-7-14)20-16-10-15(21-12(2)23)8-9-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)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-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 17416791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).