4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide

C17H17BrFNO — CID 63524586

IUPAC4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)13-9-10-14(18)15(19)11-13/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyHDPAFNZHWRMLFN-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.86
Rot. Bonds5

About 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide

4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide (PubChem CID 63524586) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
PubChem CID63524586
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)13-9-10-14(18)15(19)11-13/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyHDPAFNZHWRMLFN-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

4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide (CID 63524586) is 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1ccc(Br)c(F)c1)c1ccccc1.
What is the InChIKey of 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide?
The InChIKey is HDPAFNZHWRMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)13-9-10-14(18)15(19)11-13/h3-5,7-11,16H,2,6H2,1H3,(H,20,21).
What are the key properties of 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide?
4-bromo-3-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 4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 63524586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).