3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid

C16H16N2O3 — CID 61193250

IUPAC3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-11(2)14(8-10)18-16(21)17-13-5-3-4-12(9-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPOROHPLNNZFPDB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.65
Rot. Bonds3

About 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid

3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid (PubChem CID 61193250) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
PubChem CID61193250
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-11(2)14(8-10)18-16(21)17-13-5-3-4-12(9-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPOROHPLNNZFPDB-UHFFFAOYSA-N
XLogP3.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
3-[[(Z)-2-cyano-3-(2,5-dimethylanilino)prop-2-enoyl]amino]benzoic acid
CID 108816304
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141618
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid (CID 61193250) is 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid is Cc1ccc(C)c(NC(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid?
The InChIKey is POROHPLNNZFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-7-11(2)14(8-10)18-16(21)17-13-5-3-4-12(9-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid?
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61193250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).