2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid

C12H12FNO4 — CID 61270294

IUPAC2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCOC2)ccc1F
InChIInChI=1S/C12H12FNO4/c13-10-2-1-8(5-9(10)12(16)17)14-11(15)7-3-4-18-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyIROSJRHSBNKSIM-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid

2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid (PubChem CID 61270294) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
PubChem CID61270294
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCOC2)ccc1F
InChIInChI=1S/C12H12FNO4/c13-10-2-1-8(5-9(10)12(16)17)14-11(15)7-3-4-18-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyIROSJRHSBNKSIM-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 64766907
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
5-(oxolane-3-carbonylamino)-1-benzothiophene-2-carboxylic acid
CID 119223152
3-chloro-5-(oxolane-3-carbonylamino)benzoic acid
CID 81361980
(3S)-N-[4-(4-benzhydrylpiperazin-1-yl)-3-fluorophenyl]oxolane-3-carboxamide
CID 67678449
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid (CID 61270294) is 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)C2CCOC2)ccc1F.
What is the InChIKey of 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid?
The InChIKey is IROSJRHSBNKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-10-2-1-8(5-9(10)12(16)17)14-11(15)7-3-4-18-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid?
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid has a molecular weight of 253.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid is sourced from PubChem (CID 61270294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).