4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide

C23H21NO2 — CID 684747

IUPAC4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H21NO2/c1-15-13-16(2)21(17(3)14-15)24-23(26)20-11-9-19(10-12-20)22(25)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,26)
InChIKeyALDBAUXXXIGRTJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.10
Rot. Bonds4

About 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide

4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 684747) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID684747
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H21NO2/c1-15-13-16(2)21(17(3)14-15)24-23(26)20-11-9-19(10-12-20)22(25)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,26)
InChIKeyALDBAUXXXIGRTJ-UHFFFAOYSA-N
XLogP5.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(2-benzoyl-4-tert-butyl-6-methylphenyl)benzamide
CID 175508225
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
4-(ethylamino)-N-(2,4,6-trimethylphenyl)benzamide
CID 62186255
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
N-[2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 23573608

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide (CID 684747) is 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is ALDBAUXXXIGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15-13-16(2)21(17(3)14-15)24-23(26)20-11-9-19(10-12-20)22(25)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,26).
What are the key properties of 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide?
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 684747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).