4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide

C7H5ClFIN2O — CID 155888376

IUPAC4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide
SMILESNC(=NO)c1c(F)cc(Cl)cc1I
InChIInChI=1S/C7H5ClFIN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12)
InChIKeyFCXUWQVZTGXPDM-UHFFFAOYSA-N
MW314.49 g/mol
LogP2.18
Rot. Bonds1

About 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide

4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide (PubChem CID 155888376) has the molecular formula C7H5ClFIN2O and a molecular weight of 314.49 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide
PubChem CID155888376
Molecular FormulaC7H5ClFIN2O
Molecular Weight314.49 g/mol
Exact Mass313.91
IUPAC Name4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide
SMILESNC(=NO)c1c(F)cc(Cl)cc1I
InChIInChI=1S/C7H5ClFIN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12)
InChIKeyFCXUWQVZTGXPDM-UHFFFAOYSA-N
XLogP2.18
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 146014259
4-chloro-2,6-difluorobenzamide
CID 22478130
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
1,5-dichloro-3-fluoro-2-iodobenzene
CID 50998607
1,5-dichloro-2-fluoro-3-iodobenzene
CID 121228334
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2,6-difluoro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoic acid
CID 129386894
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
CID 171522333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide?
The IUPAC name of 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide (CID 155888376) is 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide is NC(=NO)c1c(F)cc(Cl)cc1I.
What is the InChIKey of 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide?
The InChIKey is FCXUWQVZTGXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFIN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12).
What are the key properties of 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide?
4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide has a molecular weight of 314.49 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide is sourced from PubChem (CID 155888376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).