2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide

C17H17BrFNO — CID 60667425

IUPAC2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(19)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyWTHLDKKEEXETRD-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.86
Rot. Bonds5

About 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide

2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide (PubChem CID 60667425) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
PubChem CID60667425
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(19)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyWTHLDKKEEXETRD-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581
2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
CID 42940472
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
6-bromo-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56728788
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide (CID 60667425) is 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1cc(F)ccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide?
The InChIKey is WTHLDKKEEXETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(19)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21).
What are the key properties of 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide?
2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 60667425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).