Diphenylamine-2,2'-dicarboxylic acid

C14H11NO4 — CID 11371

IUPAC2-(2-carboxyanilino)benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O
InChIInChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyZFRNOTZQUGWMQN-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.90
Rot. Bonds4

About Diphenylamine-2,2'-dicarboxylic acid

Diphenylamine-2,2'-dicarboxylic acid (PubChem CID 11371) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(2-carboxyanilino)benzoic acid.

Molecular Properties

Compound NameDiphenylamine-2,2'-dicarboxylic acid
PubChem CID11371
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name2-(2-carboxyanilino)benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O
InChIInChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyZFRNOTZQUGWMQN-UHFFFAOYSA-N
XLogP3.90
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Anthranilic Acid
CID 227
Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
Methyl N-methylanthranilate
CID 6826
Etofenamate
CID 35375
Tolfenamic Acid
CID 610479
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
2-(Methylamino)benzoic acid
CID 67069
Methyl n-acetylanthranilate
CID 17623
Phthalanilic acid
CID 78458

Frequently Asked Questions

What is the IUPAC name of Diphenylamine-2,2'-dicarboxylic acid?
The IUPAC name of Diphenylamine-2,2'-dicarboxylic acid (CID 11371) is 2-(2-carboxyanilino)benzoic acid.
What is the SMILES notation for Diphenylamine-2,2'-dicarboxylic acid?
The canonical SMILES for Diphenylamine-2,2'-dicarboxylic acid is C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O.
What is the InChIKey of Diphenylamine-2,2'-dicarboxylic acid?
The InChIKey is ZFRNOTZQUGWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19).
What are the key properties of Diphenylamine-2,2'-dicarboxylic acid?
Diphenylamine-2,2'-dicarboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Diphenylamine-2,2'-dicarboxylic acid is sourced from PubChem (CID 11371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).