2-(2-bromopropanoylamino)benzamide

C10H11BrN2O2 — CID 14588064

IUPAC2-(2-bromopropanoylamino)benzamide
SMILESCC(Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C10H11BrN2O2/c1-6(11)10(15)13-8-5-3-2-4-7(8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKeyIRBFINIHPUXXSC-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-bromopropanoylamino)benzamide

2-(2-bromopropanoylamino)benzamide (PubChem CID 14588064) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(2-bromopropanoylamino)benzamide.

Molecular Properties

Compound Name2-(2-bromopropanoylamino)benzamide
PubChem CID14588064
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-(2-bromopropanoylamino)benzamide
SMILESCC(Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C10H11BrN2O2/c1-6(11)10(15)13-8-5-3-2-4-7(8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKeyIRBFINIHPUXXSC-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.51
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-bromobutanoylamino)benzamide
CID 23323526
2-(2-ethylbutanoylamino)benzamide
CID 1214109
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318
3-(2-bromopropanoylamino)-N-carbamoyl-2-methylbenzamide
CID 24878987
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropanoylamino)benzamide?
The IUPAC name of 2-(2-bromopropanoylamino)benzamide (CID 14588064) is 2-(2-bromopropanoylamino)benzamide.
What is the SMILES notation for 2-(2-bromopropanoylamino)benzamide?
The canonical SMILES for 2-(2-bromopropanoylamino)benzamide is CC(Br)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-bromopropanoylamino)benzamide?
The InChIKey is IRBFINIHPUXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-6(11)10(15)13-8-5-3-2-4-7(8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-(2-bromopropanoylamino)benzamide?
2-(2-bromopropanoylamino)benzamide has a molecular weight of 271.11 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropanoylamino)benzamide is sourced from PubChem (CID 14588064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).