2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid

C15H20FNO4 — CID 107675560

IUPAC2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H20FNO4/c1-9(2)6-7-17-14(18)10(3)21-11-4-5-12(15(19)20)13(16)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFPHXRROLTZZKGE-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.45
Rot. Bonds7

About 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid

2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 107675560) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID107675560
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H20FNO4/c1-9(2)6-7-17-14(18)10(3)21-11-4-5-12(15(19)20)13(16)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFPHXRROLTZZKGE-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107671321
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
CID 79827324
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 107675551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 107675560) is 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid is CC(C)CCNC(=O)C(C)Oc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is FPHXRROLTZZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-9(2)6-7-17-14(18)10(3)21-11-4-5-12(15(19)20)13(16)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid?
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 107675560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).