2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid

C14H18FNO4 — CID 122110010

IUPAC2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
SMILESCC(C)OCCC(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-9(2)20-6-5-13(17)16-11-4-3-10(7-14(18)19)12(15)8-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAUCGISOPWTWZLF-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.21
Rot. Bonds7

About 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid

2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid (PubChem CID 122110010) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
PubChem CID122110010
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
SMILESCC(C)OCCC(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-9(2)20-6-5-13(17)16-11-4-3-10(7-14(18)19)12(15)8-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAUCGISOPWTWZLF-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

2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
2-[4-(3-butylsulfanylpropanoylamino)-2-fluorophenyl]acetic acid
CID 122109840
2-[4-(6-acetamidohexanoylamino)-2-fluorophenyl]acetic acid
CID 122110097
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
2-[2-fluoro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]acetic acid
CID 122110181
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
CID 122109779
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid (CID 122110010) is 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid is CC(C)OCCC(=O)Nc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid?
The InChIKey is AUCGISOPWTWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(2)20-6-5-13(17)16-11-4-3-10(7-14(18)19)12(15)8-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid?
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic 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-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid is sourced from PubChem (CID 122110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).