5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

C16H14BrF2NO — CID 60795149

IUPAC5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H14BrF2NO/c1-10(8-11-2-5-13(18)6-3-11)20-16(21)14-9-12(17)4-7-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyNPOCFPSNGRJCGJ-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.09
Rot. Bonds4

About 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (PubChem CID 60795149) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
PubChem CID60795149
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H14BrF2NO/c1-10(8-11-2-5-13(18)6-3-11)20-16(21)14-9-12(17)4-7-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyNPOCFPSNGRJCGJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
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5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
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N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
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N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (CID 60795149) is 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is CC(Cc1ccc(F)cc1)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is NPOCFPSNGRJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-10(8-11-2-5-13(18)6-3-11)20-16(21)14-9-12(17)4-7-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 354.19 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 60795149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).