3-[(4-methylphenyl)carbamoylamino]benzoic acid

C15H14N2O3 — CID 4061431

IUPAC3-[(4-methylphenyl)carbamoylamino]benzoic acid
SMILESCc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTYCRWVKJQQIRNE-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.34
Rot. Bonds3

About 3-[(4-methylphenyl)carbamoylamino]benzoic acid

3-[(4-methylphenyl)carbamoylamino]benzoic acid (PubChem CID 4061431) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(4-methylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)carbamoylamino]benzoic acid
PubChem CID4061431
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(4-methylphenyl)carbamoylamino]benzoic acid
SMILESCc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTYCRWVKJQQIRNE-UHFFFAOYSA-N
XLogP3.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(4-methylphenyl)carbamoylamino]benzoic acid (CID 4061431) is 3-[(4-methylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(4-methylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(4-methylphenyl)carbamoylamino]benzoic acid is Cc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)carbamoylamino]benzoic acid?
The InChIKey is TYCRWVKJQQIRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(4-methylphenyl)carbamoylamino]benzoic acid?
3-[(4-methylphenyl)carbamoylamino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 4061431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).