2-[2-(2-fluoroanilino)phenyl]acetic acid

C14H12FNO2 — CID 18546352

IUPAC2-[2-(2-fluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccccc1F
InChIInChI=1S/C14H12FNO2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyDWKOQWOOVUATNI-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.20
Rot. Bonds4

About 2-[2-(2-fluoroanilino)phenyl]acetic acid

2-[2-(2-fluoroanilino)phenyl]acetic acid (PubChem CID 18546352) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)phenyl]acetic acid
PubChem CID18546352
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-[2-(2-fluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccccc1F
InChIInChI=1S/C14H12FNO2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyDWKOQWOOVUATNI-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-fluoroanilino)phenyl]acetic acid (CID 18546352) is 2-[2-(2-fluoroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoroanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)phenyl]acetic acid?
The InChIKey is DWKOQWOOVUATNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[2-(2-fluoroanilino)phenyl]acetic acid?
2-[2-(2-fluoroanilino)phenyl]acetic acid has a molecular weight of 245.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)phenyl]acetic acid is sourced from PubChem (CID 18546352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).