2-bromo-N-butanoylbenzamide

C11H12BrNO2 — CID 102032097

IUPAC2-bromo-N-butanoylbenzamide
SMILESCCCC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c1-2-5-10(14)13-11(15)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyWQKNOGKQRBMJGV-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.51
Rot. Bonds3

About 2-bromo-N-butanoylbenzamide

2-bromo-N-butanoylbenzamide (PubChem CID 102032097) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-N-butanoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-butanoylbenzamide
PubChem CID102032097
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-N-butanoylbenzamide
SMILESCCCC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c1-2-5-10(14)13-11(15)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyWQKNOGKQRBMJGV-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butanoylbenzamide?
The IUPAC name of 2-bromo-N-butanoylbenzamide (CID 102032097) is 2-bromo-N-butanoylbenzamide.
What is the SMILES notation for 2-bromo-N-butanoylbenzamide?
The canonical SMILES for 2-bromo-N-butanoylbenzamide is CCCC(=O)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-butanoylbenzamide?
The InChIKey is WQKNOGKQRBMJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-5-10(14)13-11(15)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3,(H,13,14,15).
What are the key properties of 2-bromo-N-butanoylbenzamide?
2-bromo-N-butanoylbenzamide has a molecular weight of 270.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butanoylbenzamide is sourced from PubChem (CID 102032097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).