2-bromo-4-chloro-N-(1-phenylbutyl)benzamide

C17H17BrClNO — CID 107988137

IUPAC2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrClNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-10-9-13(19)11-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyOLGIFLRWCFEQIZ-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.37
Rot. Bonds5

About 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide

2-bromo-4-chloro-N-(1-phenylbutyl)benzamide (PubChem CID 107988137) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
PubChem CID107988137
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrClNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-10-9-13(19)11-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)
InChIKeyOLGIFLRWCFEQIZ-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
6-bromo-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56728788
2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
CID 42940472
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
CID 107994234
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide (CID 107988137) is 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide?
The InChIKey is OLGIFLRWCFEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-10-9-13(19)11-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21).
What are the key properties of 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide?
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide has a molecular weight of 366.69 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 107988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).