3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide

C15H12BrF2NO — CID 106544595

IUPAC3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C15H12BrF2NO/c1-2-19(13-9-4-3-8-12(13)17)15(20)10-6-5-7-11(16)14(10)18/h3-9H,2H2,1H3
InChIKeyHGTOERUMRSWTKM-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.39
Rot. Bonds3

About 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide

3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide (PubChem CID 106544595) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
PubChem CID106544595
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C15H12BrF2NO/c1-2-19(13-9-4-3-8-12(13)17)15(20)10-6-5-7-11(16)14(10)18/h3-9H,2H2,1H3
InChIKeyHGTOERUMRSWTKM-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
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3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide (CID 106544595) is 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide is CCN(C(=O)c1cccc(Br)c1F)c1ccccc1F.
What is the InChIKey of 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide?
The InChIKey is HGTOERUMRSWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-2-19(13-9-4-3-8-12(13)17)15(20)10-6-5-7-11(16)14(10)18/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide?
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide has a molecular weight of 340.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 106544595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).