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

C14H18FNO4 — CID 107014376

IUPAC4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H18FNO4/c1-8(2)7-16-13(17)9(3)20-12-6-10(15)4-5-11(12)14(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXPPDZUCGIHTHFR-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.06
Rot. Bonds6

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

4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 107014376) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID107014376
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H18FNO4/c1-8(2)7-16-13(17)9(3)20-12-6-10(15)4-5-11(12)14(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXPPDZUCGIHTHFR-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
5-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82910941
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 107014376) is 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid is CC(C)CNC(=O)C(C)Oc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is XPPDZUCGIHTHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-8(2)7-16-13(17)9(3)20-12-6-10(15)4-5-11(12)14(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid?
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 107014376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).