2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid

C17H16FNO5 — CID 122189672

IUPAC2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H16FNO5/c1-11(24-13-5-3-2-4-6-13)17(22)19-12-7-8-15(14(18)9-12)23-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBOUKLDZOFOGRSX-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.70
Rot. Bonds7

About 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid

2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid (PubChem CID 122189672) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
PubChem CID122189672
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Name2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H16FNO5/c1-11(24-13-5-3-2-4-6-13)17(22)19-12-7-8-15(14(18)9-12)23-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBOUKLDZOFOGRSX-UHFFFAOYSA-N
XLogP2.70
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]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-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid (CID 122189672) is 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid is CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The InChIKey is BOUKLDZOFOGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-11(24-13-5-3-2-4-6-13)17(22)19-12-7-8-15(14(18)9-12)23-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid has a molecular weight of 333.32 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 122189672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).