N-(3-acetamidophenyl)-3-bromopropanamide

C11H13BrN2O2 — CID 115571578

IUPACN-(3-acetamidophenyl)-3-bromopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCBr)c1
InChIInChI=1S/C11H13BrN2O2/c1-8(15)13-9-3-2-4-10(7-9)14-11(16)5-6-12/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyKYCAKGIACALYKK-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.37
Rot. Bonds4

About N-(3-acetamidophenyl)-3-bromopropanamide

N-(3-acetamidophenyl)-3-bromopropanamide (PubChem CID 115571578) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-bromopropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-bromopropanamide
PubChem CID115571578
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(3-acetamidophenyl)-3-bromopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCBr)c1
InChIInChI=1S/C11H13BrN2O2/c1-8(15)13-9-3-2-4-10(7-9)14-11(16)5-6-12/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyKYCAKGIACALYKK-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-bromopropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-bromopropanamide (CID 115571578) is N-(3-acetamidophenyl)-3-bromopropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-bromopropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-bromopropanamide is CC(=O)Nc1cccc(NC(=O)CCBr)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-bromopropanamide?
The InChIKey is KYCAKGIACALYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-8(15)13-9-3-2-4-10(7-9)14-11(16)5-6-12/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-acetamidophenyl)-3-bromopropanamide?
N-(3-acetamidophenyl)-3-bromopropanamide has a molecular weight of 285.14 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-bromopropanamide is sourced from PubChem (CID 115571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).