4-bromo-3-fluoro-N-(2-oxopropyl)benzamide

C10H9BrFNO2 — CID 64996616

IUPAC4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,15)
InChIKeyRPBPNZOCVHXHCW-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.91
Rot. Bonds3

About 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide

4-bromo-3-fluoro-N-(2-oxopropyl)benzamide (PubChem CID 64996616) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
PubChem CID64996616
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,15)
InChIKeyRPBPNZOCVHXHCW-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
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CID 64996833
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CID 47421954
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CID 64997331
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide (CID 64996616) is 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide?
The InChIKey is RPBPNZOCVHXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide?
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide has a molecular weight of 274.09 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64996616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).