2-[3-(N-phenylanilino)phenyl]acetic acid

C20H17NO2 — CID 170886645

IUPAC2-[3-(N-phenylanilino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c22-20(23)15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23)
InChIKeyOQKSESWVIZUZRW-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.78
Rot. Bonds5

About 2-[3-(N-phenylanilino)phenyl]acetic acid

2-[3-(N-phenylanilino)phenyl]acetic acid (PubChem CID 170886645) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[3-(N-phenylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(N-phenylanilino)phenyl]acetic acid
PubChem CID170886645
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-[3-(N-phenylanilino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c22-20(23)15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23)
InChIKeyOQKSESWVIZUZRW-UHFFFAOYSA-N
XLogP4.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-phenylanilino)phenyl]acetic acid?
The IUPAC name of 2-[3-(N-phenylanilino)phenyl]acetic acid (CID 170886645) is 2-[3-(N-phenylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(N-phenylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(N-phenylanilino)phenyl]acetic acid is O=C(O)Cc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-(N-phenylanilino)phenyl]acetic acid?
The InChIKey is OQKSESWVIZUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(23)15-16-8-7-13-19(14-16)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23).
What are the key properties of 2-[3-(N-phenylanilino)phenyl]acetic acid?
2-[3-(N-phenylanilino)phenyl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-phenylanilino)phenyl]acetic acid is sourced from PubChem (CID 170886645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).