N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide

C15H11BrFNO2 — CID 47421879

IUPACN-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H11BrFNO2/c1-9(19)11-4-2-3-5-14(11)18-15(20)10-6-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)
InChIKeyFUQGDGKDFXCLJF-UHFFFAOYSA-N
MW336.16 g/mol
LogP4.04
Rot. Bonds3

About N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide

N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide (PubChem CID 47421879) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
PubChem CID47421879
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC NameN-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H11BrFNO2/c1-9(19)11-4-2-3-5-14(11)18-15(20)10-6-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)
InChIKeyFUQGDGKDFXCLJF-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
CID 47421830
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497359
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide?
The IUPAC name of N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide (CID 47421879) is N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide is CC(=O)c1ccccc1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide?
The InChIKey is FUQGDGKDFXCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c1-9(19)11-4-2-3-5-14(11)18-15(20)10-6-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide?
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide has a molecular weight of 336.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide is sourced from PubChem (CID 47421879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).