3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid

C12H11ClINO4 — CID 103925892

IUPAC3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H11ClINO4/c13-7-1-2-9(14)8(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)
InChIKeyBGGIOAZBSDSJJY-UHFFFAOYSA-N
MW395.58 g/mol
LogP1.92
Rot. Bonds3

About 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid

3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 103925892) has the molecular formula C12H11ClINO4 and a molecular weight of 395.58 g/mol. Its IUPAC name is 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID103925892
Molecular FormulaC12H11ClINO4
Molecular Weight395.58 g/mol
Exact Mass394.94
IUPAC Name3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H11ClINO4/c13-7-1-2-9(14)8(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)
InChIKeyBGGIOAZBSDSJJY-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 51.92
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

1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 113352905
3-[(4-chloro-2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82783105
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
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-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid (CID 103925892) is 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cc(Cl)ccc1I.
What is the InChIKey of 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BGGIOAZBSDSJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO4/c13-7-1-2-9(14)8(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-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid?
3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 395.58 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).