4-[(2,4-dimethylphenyl)carbamoylamino]benzamide

C16H17N3O2 — CID 17374992

IUPAC4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C16H17N3O2/c1-10-3-8-14(11(2)9-10)19-16(21)18-13-6-4-12(5-7-13)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyWHFHPXWYVFMIFS-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide

4-[(2,4-dimethylphenyl)carbamoylamino]benzamide (PubChem CID 17374992) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
PubChem CID17374992
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C16H17N3O2/c1-10-3-8-14(11(2)9-10)19-16(21)18-13-6-4-12(5-7-13)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyWHFHPXWYVFMIFS-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The IUPAC name of 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide (CID 17374992) is 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The canonical SMILES for 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide is Cc1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The InChIKey is WHFHPXWYVFMIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-3-8-14(11(2)9-10)19-16(21)18-13-6-4-12(5-7-13)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 17374992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).