5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C12H13FINO2 — CID 95155012

IUPAC5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(F)ccc1I
InChIInChI=1S/C12H13FINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)/t9-/m1/s1
InChIKeyYLRDGBRUKHTNNV-SECBINFHSA-N
MW349.14 g/mol
LogP2.34
Rot. Bonds3

About 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide

5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 95155012) has the molecular formula C12H13FINO2 and a molecular weight of 349.14 g/mol. Its IUPAC name is 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID95155012
Molecular FormulaC12H13FINO2
Molecular Weight349.14 g/mol
Exact Mass349.00
IUPAC Name5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(F)ccc1I
InChIInChI=1S/C12H13FINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)/t9-/m1/s1
InChIKeyYLRDGBRUKHTNNV-SECBINFHSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 52.34
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

5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-fluoro-2-iodobenzamide
CID 60616328
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 95155012) is 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1cc(F)ccc1I.
What is the InChIKey of 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YLRDGBRUKHTNNV-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 349.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95155012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).