2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid

C13H16FNO4 — CID 112602052

IUPAC2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
SMILESCC(C)(C)OCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C13H16FNO4/c1-13(2,3)19-7-11(16)15-8-4-5-10(14)9(6-8)12(17)18/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWJUARNODBVILQZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.28
Rot. Bonds4

About 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid

2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid (PubChem CID 112602052) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
PubChem CID112602052
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
SMILESCC(C)(C)OCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C13H16FNO4/c1-13(2,3)19-7-11(16)15-8-4-5-10(14)9(6-8)12(17)18/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWJUARNODBVILQZ-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
2-fluoro-5-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79286925
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605497
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid (CID 112602052) is 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid is CC(C)(C)OCC(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The InChIKey is WJUARNODBVILQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-13(2,3)19-7-11(16)15-8-4-5-10(14)9(6-8)12(17)18/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid has a molecular weight of 269.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid is sourced from PubChem (CID 112602052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).