4-(N-phenylanilino)benzoic acid

C19H15NO2 — CID 826220

IUPAC4-(N-phenylanilino)benzoic acid
SMILESO=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,21,22)
InChIKeyXUDQSFMBCQRHAX-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.85
Rot. Bonds4

About 4-(N-phenylanilino)benzoic acid

4-(N-phenylanilino)benzoic acid (PubChem CID 826220) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(N-phenylanilino)benzoic acid.

Molecular Properties

Compound Name4-(N-phenylanilino)benzoic acid
PubChem CID826220
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-(N-phenylanilino)benzoic acid
SMILESO=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,21,22)
InChIKeyXUDQSFMBCQRHAX-UHFFFAOYSA-N
XLogP4.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)benzoic acid?
The IUPAC name of 4-(N-phenylanilino)benzoic acid (CID 826220) is 4-(N-phenylanilino)benzoic acid.
What is the SMILES notation for 4-(N-phenylanilino)benzoic acid?
The canonical SMILES for 4-(N-phenylanilino)benzoic acid is O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(N-phenylanilino)benzoic acid?
The InChIKey is XUDQSFMBCQRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,21,22).
What are the key properties of 4-(N-phenylanilino)benzoic acid?
4-(N-phenylanilino)benzoic acid has a molecular weight of 289.33 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)benzoic acid is sourced from PubChem (CID 826220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).