3-benzamido-N-(2-propan-2-ylphenyl)benzamide

C23H22N2O2 — CID 2163001

IUPAC3-benzamido-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-16(2)20-13-6-7-14-21(20)25-23(27)18-11-8-12-19(15-18)24-22(26)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQRFLUXTTYLSHJK-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.31
Rot. Bonds5

About 3-benzamido-N-(2-propan-2-ylphenyl)benzamide

3-benzamido-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 2163001) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-benzamido-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-propan-2-ylphenyl)benzamide
PubChem CID2163001
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-benzamido-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-16(2)20-13-6-7-14-21(20)25-23(27)18-11-8-12-19(15-18)24-22(26)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQRFLUXTTYLSHJK-UHFFFAOYSA-N
XLogP5.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-benzamido-N-(2-propan-2-ylphenyl)benzamide (CID 2163001) is 3-benzamido-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-benzamido-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is QRFLUXTTYLSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16(2)20-13-6-7-14-21(20)25-23(27)18-11-8-12-19(15-18)24-22(26)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-benzamido-N-(2-propan-2-ylphenyl)benzamide?
3-benzamido-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 2163001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).