3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide

C23H22N2O2 — CID 173082988

IUPAC3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-c3c(C)cccc3C(N)=O)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-15-5-3-7-17(13-15)14-25-23(27)19-11-9-18(10-12-19)21-16(2)6-4-8-20(21)22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyMOPGBJHOYPYVCL-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.00
Rot. Bonds5

About 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide

3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide (PubChem CID 173082988) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide
PubChem CID173082988
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-c3c(C)cccc3C(N)=O)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-15-5-3-7-17(13-15)14-25-23(27)19-11-9-18(10-12-19)21-16(2)6-4-8-20(21)22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyMOPGBJHOYPYVCL-UHFFFAOYSA-N
XLogP4.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
(3-methylphenyl)methylurea
CID 60776531
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-(2-amino-2-oxoethyl)-4-[[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111899664
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide (CID 173082988) is 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide is Cc1cccc(CNC(=O)c2ccc(-c3c(C)cccc3C(N)=O)cc2)c1.
What is the InChIKey of 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The InChIKey is MOPGBJHOYPYVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-5-3-7-17(13-15)14-25-23(27)19-11-9-18(10-12-19)21-16(2)6-4-8-20(21)22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27).
What are the key properties of 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide?
3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 173082988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).