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

C23H22N2O2 — CID 109055274

IUPAC3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-5-6-13-21(17)25-23(27)20-12-7-11-19(16-20)22(26)24-15-14-18-9-3-2-4-10-18/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyKRRHULQIVIFYHL-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.22
Rot. Bonds6

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

3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109055274) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109055274
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-5-6-13-21(17)25-23(27)20-12-7-11-19(16-20)22(26)24-15-14-18-9-3-2-4-10-18/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyKRRHULQIVIFYHL-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056154
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (CID 109055274) is 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is KRRHULQIVIFYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-5-6-13-21(17)25-23(27)20-12-7-11-19(16-20)22(26)24-15-14-18-9-3-2-4-10-18/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).