3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide

C16H16BrClN2O — CID 109038412

IUPAC3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-6-7-12(18)10-15(11)20-16(21)8-9-19-14-5-3-2-4-13(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyZISMVRATJCHAFN-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.85
Rot. Bonds5

About 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide

3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 109038412) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID109038412
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-6-7-12(18)10-15(11)20-16(21)8-9-19-14-5-3-2-4-13(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyZISMVRATJCHAFN-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide (CID 109038412) is 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCNc1ccccc1Br.
What is the InChIKey of 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is ZISMVRATJCHAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11-6-7-12(18)10-15(11)20-16(21)8-9-19-14-5-3-2-4-13(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide?
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 367.67 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).