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

C17H18BrNO — CID 60654945

IUPAC3-bromo-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-7-16(13-8-4-3-5-9-13)19-17(20)14-10-6-11-15(18)12-14/h3-6,8-12,16H,2,7H2,1H3,(H,19,20)
InChIKeyFQJPBWBYLIKBDF-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.72
Rot. Bonds5

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

3-bromo-N-(1-phenylbutyl)benzamide (PubChem CID 60654945) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-phenylbutyl)benzamide
PubChem CID60654945
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-7-16(13-8-4-3-5-9-13)19-17(20)14-10-6-11-15(18)12-14/h3-6,8-12,16H,2,7H2,1H3,(H,19,20)
InChIKeyFQJPBWBYLIKBDF-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
3,5-dinitro-N-(1-phenylbutyl)benzamide
CID 71330970
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-(1-ethoxybutyl)benzamide
CID 118119439
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-phenylbutyl)benzamide?
The IUPAC name of 3-bromo-N-(1-phenylbutyl)benzamide (CID 60654945) is 3-bromo-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-phenylbutyl)benzamide?
The InChIKey is FQJPBWBYLIKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-7-16(13-8-4-3-5-9-13)19-17(20)14-10-6-11-15(18)12-14/h3-6,8-12,16H,2,7H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(1-phenylbutyl)benzamide?
3-bromo-N-(1-phenylbutyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 60654945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).