4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid

C15H20FNO4 — CID 107014203

IUPAC4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
SMILESCCCC(C)NC(=O)C(C)Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO4/c1-4-5-9(2)17-14(18)10(3)21-13-8-11(16)6-7-12(13)15(19)20/h6-10H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCNXKIUOGKFCLKO-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.60
Rot. Bonds7

About 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid

4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid (PubChem CID 107014203) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
PubChem CID107014203
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
SMILESCCCC(C)NC(=O)C(C)Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO4/c1-4-5-9(2)17-14(18)10(3)21-13-8-11(16)6-7-12(13)15(19)20/h6-10H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCNXKIUOGKFCLKO-UHFFFAOYSA-N
XLogP2.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-methyl-3-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 82810097
2-methyl-4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107671023
4-fluoro-2-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183430
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-amino-4-fluorobenzoate
CID 115577455
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid?
The IUPAC name of 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid (CID 107014203) is 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid?
The canonical SMILES for 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid is CCCC(C)NC(=O)C(C)Oc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid?
The InChIKey is CNXKIUOGKFCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-4-5-9(2)17-14(18)10(3)21-13-8-11(16)6-7-12(13)15(19)20/h6-10H,4-5H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid?
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid is sourced from PubChem (CID 107014203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).