4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide

C16H17N3O2 — CID 26016677

IUPAC4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-11(2)9-14(8-10)18-15(20)12-3-5-13(6-4-12)19-16(17)21/h3-9H,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyCNXWXACCCHFSOP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds3

About 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide

4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide (PubChem CID 26016677) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
PubChem CID26016677
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-11(2)9-14(8-10)18-15(20)12-3-5-13(6-4-12)19-16(17)21/h3-9H,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeyCNXWXACCCHFSOP-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

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-(3,5-dimethylphenyl)-4-formamidobenzamide
CID 168654127
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide (CID 26016677) is 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is CNXWXACCCHFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-11(2)9-14(8-10)18-15(20)12-3-5-13(6-4-12)19-16(17)21/h3-9H,1-2H3,(H,18,20)(H3,17,19,21).
What are the key properties of 4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide?
4-(carbamoylamino)-N-(3,5-dimethylphenyl)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-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 26016677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).