2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide

C17H17BrFNO — CID 55391050

IUPAC2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-9-8-14(19)10-16(15)18/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyZNPYHGWARSTMFT-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.51
Rot. Bonds5

About 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide

2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide (PubChem CID 55391050) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
PubChem CID55391050
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-9-8-14(19)10-16(15)18/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyZNPYHGWARSTMFT-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473735
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
CID 47113989
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide (CID 55391050) is 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide?
The InChIKey is ZNPYHGWARSTMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-9-8-14(19)10-16(15)18/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide?
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 55391050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).