4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide

C22H22N2O — CID 145489122

IUPAC4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CNc3ccccc3C)cc2)c1
InChIInChI=1S/C22H22N2O/c1-16-6-5-8-20(14-16)24-22(25)19-12-10-18(11-13-19)15-23-21-9-4-3-7-17(21)2/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyKTEREKPPDNJUMD-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.17
Rot. Bonds5

About 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide

4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 145489122) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
PubChem CID145489122
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CNc3ccccc3C)cc2)c1
InChIInChI=1S/C22H22N2O/c1-16-6-5-8-20(14-16)24-22(25)19-12-10-18(11-13-19)15-23-21-9-4-3-7-17(21)2/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyKTEREKPPDNJUMD-UHFFFAOYSA-N
XLogP5.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
4-[(4-hydroxyphenyl)methyl]-N-(3-methylphenyl)benzamide
CID 167167317
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
4-[(3-methylanilino)methyl]benzamide
CID 28564307
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide (CID 145489122) is 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(CNc3ccccc3C)cc2)c1.
What is the InChIKey of 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is KTEREKPPDNJUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-6-5-8-20(14-16)24-22(25)19-12-10-18(11-13-19)15-23-21-9-4-3-7-17(21)2/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide?
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 330.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 145489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).