2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid

C14H18FNO4 — CID 107014148

IUPAC2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
SMILESCCCC(C)NC(=O)COc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-5-9(2)16-12(17)8-20-11-7-4-6-10(15)13(11)14(18)19/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKEJROICORSJVGY-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.21
Rot. Bonds7

About 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid

2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid (PubChem CID 107014148) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
PubChem CID107014148
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
SMILESCCCC(C)NC(=O)COc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-5-9(2)16-12(17)8-20-11-7-4-6-10(15)13(11)14(18)19/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKEJROICORSJVGY-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
CID 43609214
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-[2-(ethylcarbamoylamino)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014145
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid (CID 107014148) is 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid is CCCC(C)NC(=O)COc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The InChIKey is KEJROICORSJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-5-9(2)16-12(17)8-20-11-7-4-6-10(15)13(11)14(18)19/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid is sourced from PubChem (CID 107014148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).