2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide

C16H15BrFNO — CID 115678208

IUPAC2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-11(12-6-3-2-4-7-12)10-19-16(20)15-13(17)8-5-9-14(15)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyGGIFSEUPTOMGQM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide

2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide (PubChem CID 115678208) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
PubChem CID115678208
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-11(12-6-3-2-4-7-12)10-19-16(20)15-13(17)8-5-9-14(15)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyGGIFSEUPTOMGQM-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide (CID 115678208) is 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1c(F)cccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide?
The InChIKey is GGIFSEUPTOMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(12-6-3-2-4-7-12)10-19-16(20)15-13(17)8-5-9-14(15)18/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide?
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 115678208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).