N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide

C18H20ClN3O2 — CID 54819153

IUPACN-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-5-4-6-15(10-14)22-18(24)11-20-16-9-13(19)8-7-12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySDSNJLMQBQLLNC-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54819153) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54819153
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-5-4-6-15(10-14)22-18(24)11-20-16-9-13(19)8-7-12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySDSNJLMQBQLLNC-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]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-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(5-chloro-2-methylanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54819365
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide (CID 54819153) is N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is SDSNJLMQBQLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-5-4-6-15(10-14)22-18(24)11-20-16-9-13(19)8-7-12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54819153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).