N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide

C23H22N2O2 — CID 1288920

IUPACN-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-9-11-20(16(2)13-15)23(27)24-19-10-12-21(17(3)14-19)25-22(26)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAUMMPCDMYRWKES-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.12
Rot. Bonds4

About N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide

N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 1288920) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
PubChem CID1288920
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-9-11-20(16(2)13-15)23(27)24-19-10-12-21(17(3)14-19)25-22(26)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAUMMPCDMYRWKES-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

N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide (CID 1288920) is N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is AUMMPCDMYRWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-9-11-20(16(2)13-15)23(27)24-19-10-12-21(17(3)14-19)25-22(26)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide?
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide 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-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 1288920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).