3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide

C11H11FINO2 — CID 172647618

IUPAC3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)cc(I)c1
InChIInChI=1S/C11H11FINO2/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-16-6-10/h3-5,10H,1-2,6H2,(H,14,15)
InChIKeyWFKOKPWWHOXAGE-UHFFFAOYSA-N
MW335.12 g/mol
LogP1.95
Rot. Bonds2

About 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide

3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide (PubChem CID 172647618) has the molecular formula C11H11FINO2 and a molecular weight of 335.12 g/mol. Its IUPAC name is 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
PubChem CID172647618
Molecular FormulaC11H11FINO2
Molecular Weight335.12 g/mol
Exact Mass334.98
IUPAC Name3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)cc(I)c1
InChIInChI=1S/C11H11FINO2/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-16-6-10/h3-5,10H,1-2,6H2,(H,14,15)
InChIKeyWFKOKPWWHOXAGE-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide
CID 172646928
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750
5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
N-(oxolan-3-yl)furan-3-carboxamide
CID 130743970
3-fluoro-2-methoxy-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716247
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
3-bromo-N-(oxolan-3-yl)-4-(trifluoromethyl)benzamide
CID 176508175

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide (CID 172647618) is 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1cc(F)cc(I)c1.
What is the InChIKey of 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide?
The InChIKey is WFKOKPWWHOXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO2/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-16-6-10/h3-5,10H,1-2,6H2,(H,14,15).
What are the key properties of 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide?
3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide has a molecular weight of 335.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 172647618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).