N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide

C17H18BrN3O2 — CID 109041106

IUPACN-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccccc2Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)20-13-5-4-6-14(11-13)21-17(23)9-10-19-16-8-3-2-7-15(16)18/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyVXJSNELCBQSBDX-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.85
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide

N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide (PubChem CID 109041106) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
PubChem CID109041106
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccccc2Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)20-13-5-4-6-14(11-13)21-17(23)9-10-19-16-8-3-2-7-15(16)18/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyVXJSNELCBQSBDX-UHFFFAOYSA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide (CID 109041106) is N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide is CC(=O)Nc1cccc(NC(=O)CCNc2ccccc2Br)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide?
The InChIKey is VXJSNELCBQSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-12(22)20-13-5-4-6-14(11-13)21-17(23)9-10-19-16-8-3-2-7-15(16)18/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide?
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide has a molecular weight of 376.25 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide is sourced from PubChem (CID 109041106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).