2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid

C16H14FNO3 — CID 60993734

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO3/c17-12-2-1-3-13(9-12)18-15(16(19)20)11-4-5-14-10(8-11)6-7-21-14/h1-5,8-9,15,18H,6-7H2,(H,19,20)
InChIKeyPXFCLNKMQNFGHA-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid (PubChem CID 60993734) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid
PubChem CID60993734
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO3/c17-12-2-1-3-13(9-12)18-15(16(19)20)11-4-5-14-10(8-11)6-7-21-14/h1-5,8-9,15,18H,6-7H2,(H,19,20)
InChIKeyPXFCLNKMQNFGHA-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid (CID 60993734) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid is O=C(O)C(Nc1cccc(F)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid?
The InChIKey is PXFCLNKMQNFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-2-1-3-13(9-12)18-15(16(19)20)11-4-5-14-10(8-11)6-7-21-14/h1-5,8-9,15,18H,6-7H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid has a molecular weight of 287.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoroanilino)acetic acid is sourced from PubChem (CID 60993734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).