N-(3-benzamido-2,4,6-trimethylphenyl)benzamide

C23H22N2O2 — CID 5084961

IUPACN-(3-benzamido-2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2)c(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-14-16(2)21(25-23(27)19-12-8-5-9-13-19)17(3)20(15)24-22(26)18-10-6-4-7-11-18/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyVKMDWJOOUDCJOK-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.12
Rot. Bonds4

About N-(3-benzamido-2,4,6-trimethylphenyl)benzamide

N-(3-benzamido-2,4,6-trimethylphenyl)benzamide (PubChem CID 5084961) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-benzamido-2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-benzamido-2,4,6-trimethylphenyl)benzamide
PubChem CID5084961
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(3-benzamido-2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2)c(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-14-16(2)21(25-23(27)19-12-8-5-9-13-19)17(3)20(15)24-22(26)18-10-6-4-7-11-18/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyVKMDWJOOUDCJOK-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
N-(2-benzoyl-4-tert-butyl-6-methylphenyl)benzamide
CID 175508225
4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643639
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
CID 68907909
3-benzamido-4,5-dimethylthiophene-2-carboxylic acid
CID 569948
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
CID 1484445
N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]benzamide
CID 50881403
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643693

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-2,4,6-trimethylphenyl)benzamide?
The IUPAC name of N-(3-benzamido-2,4,6-trimethylphenyl)benzamide (CID 5084961) is N-(3-benzamido-2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for N-(3-benzamido-2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for N-(3-benzamido-2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccccc2)c(C)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-benzamido-2,4,6-trimethylphenyl)benzamide?
The InChIKey is VKMDWJOOUDCJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-14-16(2)21(25-23(27)19-12-8-5-9-13-19)17(3)20(15)24-22(26)18-10-6-4-7-11-18/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-benzamido-2,4,6-trimethylphenyl)benzamide?
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 5084961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).