3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide

C17H18BrClN2O — CID 109038531

IUPAC3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H18BrClN2O/c1-11-9-13(18)3-5-15(11)20-8-7-17(22)21-16-6-4-14(19)10-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyKTVKAMHKBNNCTA-UHFFFAOYSA-N
MW381.70 g/mol
LogP5.16
Rot. Bonds5

About 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide

3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 109038531) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID109038531
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H18BrClN2O/c1-11-9-13(18)3-5-15(11)20-8-7-17(22)21-16-6-4-14(19)10-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyKTVKAMHKBNNCTA-UHFFFAOYSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.70
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-2-methylanilino)-N-(4-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-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028102
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042234
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040066

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 109038531) is 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Br)ccc1NCCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is KTVKAMHKBNNCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-11-9-13(18)3-5-15(11)20-8-7-17(22)21-16-6-4-14(19)10-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 381.70 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).