3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide

C17H19BrN2O — CID 109035478

IUPAC3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2Br)cc1C
InChIInChI=1S/C17H19BrN2O/c1-12-7-8-14(11-13(12)2)20-17(21)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGKXKDFVCBGEHCM-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.51
Rot. Bonds5

About 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide

3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 109035478) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID109035478
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2Br)cc1C
InChIInChI=1S/C17H19BrN2O/c1-12-7-8-14(11-13(12)2)20-17(21)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGKXKDFVCBGEHCM-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide (CID 109035478) is 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCNc2ccccc2Br)cc1C.
What is the InChIKey of 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is GKXKDFVCBGEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-7-8-14(11-13(12)2)20-17(21)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 347.26 g/mol, XLogP of 4.51, 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-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 109035478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).