3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide

C16H16BrClN2O — CID 109038528

IUPAC3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-10-12(18)6-7-14(11)20-16(21)8-9-19-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXOMHOCFCGMVJRU-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.85
Rot. Bonds5

About 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide

3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 109038528) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID109038528
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-10-12(18)6-7-14(11)20-16(21)8-9-19-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXOMHOCFCGMVJRU-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

3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 109038528) is 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCNc1ccccc1Br.
What is the InChIKey of 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is XOMHOCFCGMVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11-10-12(18)6-7-14(11)20-16(21)8-9-19-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(2-bromoanilino)-N-(4-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-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).