N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide

C17H18BrClN2O — CID 109038475

IUPACN-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCc1cc(NC(=O)CCNc2cc(Cl)ccc2C)ccc1Br
InChIInChI=1S/C17H18BrClN2O/c1-11-3-4-13(19)10-16(11)20-8-7-17(22)21-14-5-6-15(18)12(2)9-14/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGWZCCXFUFMEMRD-UHFFFAOYSA-N
MW381.70 g/mol
LogP5.16
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide

N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide (PubChem CID 109038475) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
PubChem CID109038475
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCc1cc(NC(=O)CCNc2cc(Cl)ccc2C)ccc1Br
InChIInChI=1S/C17H18BrClN2O/c1-11-3-4-13(19)10-16(11)20-8-7-17(22)21-14-5-6-15(18)12(2)9-14/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGWZCCXFUFMEMRD-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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide (CID 109038475) is N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide is Cc1cc(NC(=O)CCNc2cc(Cl)ccc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The InChIKey is GWZCCXFUFMEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-11-3-4-13(19)10-16(11)20-8-7-17(22)21-14-5-6-15(18)12(2)9-14/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide?
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)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 N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 109038475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).