5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid

C15H18FNO4 — CID 65157370

IUPAC5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OC(C)C(C(=O)Nc2ccc(F)cc2C(=O)O)C1C
InChIInChI=1S/C15H18FNO4/c1-7-8(2)21-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15(19)20/h4-9,13H,1-3H3,(H,17,18)(H,19,20)
InChIKeyWVHVIALKNADCTG-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.52
Rot. Bonds3

About 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid

5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 65157370) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID65157370
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OC(C)C(C(=O)Nc2ccc(F)cc2C(=O)O)C1C
InChIInChI=1S/C15H18FNO4/c1-7-8(2)21-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15(19)20/h4-9,13H,1-3H3,(H,17,18)(H,19,20)
InChIKeyWVHVIALKNADCTG-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid (CID 65157370) is 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid is CC1OC(C)C(C(=O)Nc2ccc(F)cc2C(=O)O)C1C.
What is the InChIKey of 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is WVHVIALKNADCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-7-8(2)21-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15(19)20/h4-9,13H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 295.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).