4-[(2-bromo-2-methylpropanoyl)amino]benzamide

C11H13BrN2O2 — CID 116816922

IUPAC4-[(2-bromo-2-methylpropanoyl)amino]benzamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13BrN2O2/c1-11(2,12)10(16)14-8-5-3-7(4-6-8)9(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyGSHBZEWJCGTJQS-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.90
Rot. Bonds3

About 4-[(2-bromo-2-methylpropanoyl)amino]benzamide

4-[(2-bromo-2-methylpropanoyl)amino]benzamide (PubChem CID 116816922) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-[(2-bromo-2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-bromo-2-methylpropanoyl)amino]benzamide
PubChem CID116816922
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name4-[(2-bromo-2-methylpropanoyl)amino]benzamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13BrN2O2/c1-11(2,12)10(16)14-8-5-3-7(4-6-8)9(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyGSHBZEWJCGTJQS-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]benzamide?
The IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]benzamide (CID 116816922) is 4-[(2-bromo-2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for 4-[(2-bromo-2-methylpropanoyl)amino]benzamide?
The canonical SMILES for 4-[(2-bromo-2-methylpropanoyl)amino]benzamide is CC(C)(Br)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-bromo-2-methylpropanoyl)amino]benzamide?
The InChIKey is GSHBZEWJCGTJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(2,12)10(16)14-8-5-3-7(4-6-8)9(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 4-[(2-bromo-2-methylpropanoyl)amino]benzamide?
4-[(2-bromo-2-methylpropanoyl)amino]benzamide has a molecular weight of 285.14 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 116816922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).