2-(2-bromobutanoylamino)benzamide

C11H13BrN2O2 — CID 23323526

IUPAC2-(2-bromobutanoylamino)benzamide
SMILESCCC(Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-2-8(12)11(16)14-9-6-4-3-5-7(9)10(13)15/h3-6,8H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHKUMQNGQZIRVQZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-bromobutanoylamino)benzamide

2-(2-bromobutanoylamino)benzamide (PubChem CID 23323526) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(2-bromobutanoylamino)benzamide.

Molecular Properties

Compound Name2-(2-bromobutanoylamino)benzamide
PubChem CID23323526
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-(2-bromobutanoylamino)benzamide
SMILESCCC(Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-2-8(12)11(16)14-9-6-4-3-5-7(9)10(13)15/h3-6,8H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHKUMQNGQZIRVQZ-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 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 ≤ 51.90
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

2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
CID 825309
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-(2-bromopropanoylamino)benzamide
CID 14588064
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
2-bromo-N-(2-ethylsulfonylphenyl)butanamide
CID 62856138
3-(2-bromobutanoylamino)-2-methylbenzoic acid
CID 62855570
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromobutanoylamino)benzamide?
The IUPAC name of 2-(2-bromobutanoylamino)benzamide (CID 23323526) is 2-(2-bromobutanoylamino)benzamide.
What is the SMILES notation for 2-(2-bromobutanoylamino)benzamide?
The canonical SMILES for 2-(2-bromobutanoylamino)benzamide is CCC(Br)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-bromobutanoylamino)benzamide?
The InChIKey is HKUMQNGQZIRVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-8(12)11(16)14-9-6-4-3-5-7(9)10(13)15/h3-6,8H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-(2-bromobutanoylamino)benzamide?
2-(2-bromobutanoylamino)benzamide has a molecular weight of 285.14 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobutanoylamino)benzamide is sourced from PubChem (CID 23323526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).