3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide

C15H12BrF2NO — CID 103706387

IUPAC3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyHBFWXLGCDRQNDO-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.22
Rot. Bonds3

About 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide

3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 103706387) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID103706387
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyHBFWXLGCDRQNDO-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 90385105
4-bromo-3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 118662968
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3-bromo-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 81458325

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 103706387) is 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is HBFWXLGCDRQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 340.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 103706387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).