3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide

C23H22N2O2 — CID 109056848

IUPAC3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H22N2O2/c1-15-9-6-13-21(17(15)3)25-23(27)19-11-7-10-18(14-19)22(26)24-20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyXPIMJKAHYFTWLC-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.12
Rot. Bonds4

About 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide

3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056848) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056848
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H22N2O2/c1-15-9-6-13-21(17(15)3)25-23(27)19-11-7-10-18(14-19)22(26)24-20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyXPIMJKAHYFTWLC-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

1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
1-N,3-N-bis(2,3-dimethylphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 3379154

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide (CID 109056848) is 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is XPIMJKAHYFTWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-9-6-13-21(17(15)3)25-23(27)19-11-7-10-18(14-19)22(26)24-20-12-5-4-8-16(20)2/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide 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 3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).