4-bromo-N-butyl-N-phenylbenzamide

C17H18BrNO — CID 3934058

IUPAC4-bromo-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-3-13-19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h4-12H,2-3,13H2,1H3
InChIKeyFDDDLTDXCJUTQX-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.90
Rot. Bonds5

About 4-bromo-N-butyl-N-phenylbenzamide

4-bromo-N-butyl-N-phenylbenzamide (PubChem CID 3934058) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-butyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-N-phenylbenzamide
PubChem CID3934058
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-3-13-19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h4-12H,2-3,13H2,1H3
InChIKeyFDDDLTDXCJUTQX-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-N-phenylbenzamide?
The IUPAC name of 4-bromo-N-butyl-N-phenylbenzamide (CID 3934058) is 4-bromo-N-butyl-N-phenylbenzamide.
What is the SMILES notation for 4-bromo-N-butyl-N-phenylbenzamide?
The canonical SMILES for 4-bromo-N-butyl-N-phenylbenzamide is CCCCN(C(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-butyl-N-phenylbenzamide?
The InChIKey is FDDDLTDXCJUTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-3-13-19(16-7-5-4-6-8-16)17(20)14-9-11-15(18)12-10-14/h4-12H,2-3,13H2,1H3.
What are the key properties of 4-bromo-N-butyl-N-phenylbenzamide?
4-bromo-N-butyl-N-phenylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-N-phenylbenzamide is sourced from PubChem (CID 3934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).