3-bromo-N-butyl-N-phenylbenzamide

C17H18BrNO — CID 17256559

IUPAC3-bromo-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-3-12-19(16-10-5-4-6-11-16)17(20)14-8-7-9-15(18)13-14/h4-11,13H,2-3,12H2,1H3
InChIKeyBLJZQRFOGYMTLK-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.90
Rot. Bonds5

About 3-bromo-N-butyl-N-phenylbenzamide

3-bromo-N-butyl-N-phenylbenzamide (PubChem CID 17256559) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-N-phenylbenzamide
PubChem CID17256559
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-3-12-19(16-10-5-4-6-11-16)17(20)14-8-7-9-15(18)13-14/h4-11,13H,2-3,12H2,1H3
InChIKeyBLJZQRFOGYMTLK-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

4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
CID 78811673
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
N-butyl-4-chloro-3-cyano-N-phenylbenzamide
CID 75444154
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-N-phenylbenzamide?
The IUPAC name of 3-bromo-N-butyl-N-phenylbenzamide (CID 17256559) is 3-bromo-N-butyl-N-phenylbenzamide.
What is the SMILES notation for 3-bromo-N-butyl-N-phenylbenzamide?
The canonical SMILES for 3-bromo-N-butyl-N-phenylbenzamide is CCCCN(C(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-butyl-N-phenylbenzamide?
The InChIKey is BLJZQRFOGYMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-3-12-19(16-10-5-4-6-11-16)17(20)14-8-7-9-15(18)13-14/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 3-bromo-N-butyl-N-phenylbenzamide?
3-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 3-bromo-N-butyl-N-phenylbenzamide is sourced from PubChem (CID 17256559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).