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

C15H18FNO4 — CID 65157238

IUPAC3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OC(C)C(C(=O)Nc2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C15H18FNO4/c1-7-8(2)21-9(3)13(7)14(18)17-12-5-4-10(15(19)20)6-11(12)16/h4-9,13H,1-3H3,(H,17,18)(H,19,20)
InChIKeyHYWCKBZFQFYXBX-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.52
Rot. Bonds3

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

3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 65157238) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID65157238
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OC(C)C(C(=O)Nc2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C15H18FNO4/c1-7-8(2)21-9(3)13(7)14(18)17-12-5-4-10(15(19)20)6-11(12)16/h4-9,13H,1-3H3,(H,17,18)(H,19,20)
InChIKeyHYWCKBZFQFYXBX-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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Related Compounds

5-fluoro-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157370
3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157123
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
3-fluoro-4-(spiro[2.2]pentane-2-carbonylamino)benzoic acid
CID 122108113
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
2-methyl-6-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157289
N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82707865
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156416
3-fluoro-4-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63189730
3-fluoro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 170783845
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-fluorobenzoic acid
CID 79208389

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid (CID 65157238) is 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid is CC1OC(C)C(C(=O)Nc2ccc(C(=O)O)cc2F)C1C.
What is the InChIKey of 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is HYWCKBZFQFYXBX-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(15(19)20)6-11(12)16/h4-9,13H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid?
3-fluoro-4-[(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 3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65157238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).