3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid

C12H11FINO4 — CID 113352905

IUPAC3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(F)cc1I
InChIInChI=1S/C12H11FINO4/c13-7-1-2-8(9(14)5-7)10(16)15-12(11(17)18)3-4-19-6-12/h1-2,5H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyBHRDIYWHHSDTLD-UHFFFAOYSA-N
MW379.13 g/mol
LogP1.40
Rot. Bonds3

About 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid

3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 113352905) has the molecular formula C12H11FINO4 and a molecular weight of 379.13 g/mol. Its IUPAC name is 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID113352905
Molecular FormulaC12H11FINO4
Molecular Weight379.13 g/mol
Exact Mass378.97
IUPAC Name3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(F)cc1I
InChIInChI=1S/C12H11FINO4/c13-7-1-2-8(9(14)5-7)10(16)15-12(11(17)18)3-4-19-6-12/h1-2,5H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyBHRDIYWHHSDTLD-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.13
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892
3-[(4-chloro-2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82783105
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
3-[(2-fluoro-5-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889965
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid (CID 113352905) is 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccc(F)cc1I.
What is the InChIKey of 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BHRDIYWHHSDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FINO4/c13-7-1-2-8(9(14)5-7)10(16)15-12(11(17)18)3-4-19-6-12/h1-2,5H,3-4,6H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 379.13 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 113352905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).