3-benzamido-N-(4-butan-2-ylphenyl)benzamide

C24H24N2O2 — CID 5224241

IUPAC3-benzamido-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-17(2)18-12-14-21(15-13-18)25-24(28)20-10-7-11-22(16-20)26-23(27)19-8-5-4-6-9-19/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBSIFKDQJZKMCDZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.70
Rot. Bonds6

About 3-benzamido-N-(4-butan-2-ylphenyl)benzamide

3-benzamido-N-(4-butan-2-ylphenyl)benzamide (PubChem CID 5224241) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-benzamido-N-(4-butan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(4-butan-2-ylphenyl)benzamide
PubChem CID5224241
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-benzamido-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-17(2)18-12-14-21(15-13-18)25-24(28)20-10-7-11-22(16-20)26-23(27)19-8-5-4-6-9-19/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBSIFKDQJZKMCDZ-UHFFFAOYSA-N
XLogP5.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The IUPAC name of 3-benzamido-N-(4-butan-2-ylphenyl)benzamide (CID 5224241) is 3-benzamido-N-(4-butan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The canonical SMILES for 3-benzamido-N-(4-butan-2-ylphenyl)benzamide is CCC(C)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The InChIKey is BSIFKDQJZKMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-17(2)18-12-14-21(15-13-18)25-24(28)20-10-7-11-22(16-20)26-23(27)19-8-5-4-6-9-19/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-benzamido-N-(4-butan-2-ylphenyl)benzamide?
3-benzamido-N-(4-butan-2-ylphenyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(4-butan-2-ylphenyl)benzamide is sourced from PubChem (CID 5224241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).