2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid

C17H15F2NO5 — CID 122189676

IUPAC2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
SMILESCC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H15F2NO5/c1-10(25-15-5-3-2-4-12(15)18)17(23)20-11-6-7-14(13(19)8-11)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyNCMBUSUTMQZIAP-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.83
Rot. Bonds7

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

2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid (PubChem CID 122189676) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
PubChem CID122189676
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
SMILESCC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H15F2NO5/c1-10(25-15-5-3-2-4-12(15)18)17(23)20-11-6-7-14(13(19)8-11)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyNCMBUSUTMQZIAP-UHFFFAOYSA-N
XLogP2.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid (CID 122189676) is 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid is CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid?
The InChIKey is NCMBUSUTMQZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-10(25-15-5-3-2-4-12(15)18)17(23)20-11-6-7-14(13(19)8-11)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid?
2-[2-fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid has a molecular weight of 351.31 g/mol, XLogP of 2.83, 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-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 122189676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).