4-bromo-N-(4-butan-2-ylphenyl)benzamide

C17H18BrNO — CID 2842671

IUPAC4-bromo-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-12(2)13-6-10-16(11-7-13)19-17(20)14-4-8-15(18)9-5-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyGPNDWUQZPYRNFW-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.21
Rot. Bonds4

About 4-bromo-N-(4-butan-2-ylphenyl)benzamide

4-bromo-N-(4-butan-2-ylphenyl)benzamide (PubChem CID 2842671) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-(4-butan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-butan-2-ylphenyl)benzamide
PubChem CID2842671
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-12(2)13-6-10-16(11-7-13)19-17(20)14-4-8-15(18)9-5-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyGPNDWUQZPYRNFW-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-butan-2-ylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-butan-2-ylphenyl)benzamide (CID 2842671) is 4-bromo-N-(4-butan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-butan-2-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-butan-2-ylphenyl)benzamide is CCC(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-(4-butan-2-ylphenyl)benzamide?
The InChIKey is GPNDWUQZPYRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-12(2)13-6-10-16(11-7-13)19-17(20)14-4-8-15(18)9-5-14/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(4-butan-2-ylphenyl)benzamide?
4-bromo-N-(4-butan-2-ylphenyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-butan-2-ylphenyl)benzamide is sourced from PubChem (CID 2842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).