4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid

C12H11F2NO4 — CID 66220763

IUPAC4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NO4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5H2,(H,15,16)(H,17,18)
InChIKeyFNLYDSFUERBELN-UHFFFAOYSA-N
MW271.22 g/mol
LogP0.79
Rot. Bonds3

About 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid

4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66220763) has the molecular formula C12H11F2NO4 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66220763
Molecular FormulaC12H11F2NO4
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NO4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5H2,(H,15,16)(H,17,18)
InChIKeyFNLYDSFUERBELN-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107729418
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
CID 66238525
4-[(2-bromo-6-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 114558567
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid (CID 66220763) is 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FNLYDSFUERBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid?
4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66220763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).