2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid

C14H16FNO4 — CID 107675551

IUPAC2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(C(=O)O)c(F)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H16FNO4/c1-9(13(17)16-6-2-3-7-16)20-10-4-5-11(14(18)19)12(15)8-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyJDJRQYIEXNPYTF-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.91
Rot. Bonds4

About 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid

2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid (PubChem CID 107675551) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
PubChem CID107675551
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(C(=O)O)c(F)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H16FNO4/c1-9(13(17)16-6-2-3-7-16)20-10-4-5-11(14(18)19)12(15)8-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyJDJRQYIEXNPYTF-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649
2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 65202836
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 106954912
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid?
The IUPAC name of 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid (CID 107675551) is 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid?
The canonical SMILES for 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid is CC(Oc1ccc(C(=O)O)c(F)c1)C(=O)N1CCCC1.
What is the InChIKey of 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid?
The InChIKey is JDJRQYIEXNPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(13(17)16-6-2-3-7-16)20-10-4-5-11(14(18)19)12(15)8-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid?
2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid has a molecular weight of 281.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid is sourced from PubChem (CID 107675551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).