N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide

C23H23N3O2 — CID 55819926

IUPACN-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide
SMILESCc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-12-19(17(2)13-16)15-24-23(28)26-21-10-6-9-20(14-21)25-22(27)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyQUEMRXXBOMRPNS-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.88
Rot. Bonds5

About N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide

N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide (PubChem CID 55819926) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide
PubChem CID55819926
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide
SMILESCc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-12-19(17(2)13-16)15-24-23(28)26-21-10-6-9-20(14-21)25-22(27)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyQUEMRXXBOMRPNS-UHFFFAOYSA-N
XLogP4.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
N-[3-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883847
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,4-dimethylphenyl)methyl]urea
CID 52663906
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide?
The IUPAC name of N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide (CID 55819926) is N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide is Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C)c1.
What is the InChIKey of N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide?
The InChIKey is QUEMRXXBOMRPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-11-12-19(17(2)13-16)15-24-23(28)26-21-10-6-9-20(14-21)25-22(27)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide?
N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethylphenyl)methylcarbamoylamino]phenyl]benzamide is sourced from PubChem (CID 55819926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).