2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide

C14H11ClF2N2O2 — CID 43609277

IUPAC2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-10-6-9(16)5-4-8(10)7-21-12-3-1-2-11(17)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyRUZWVURRPLIUEY-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide

2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43609277) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43609277
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-10-6-9(16)5-4-8(10)7-21-12-3-1-2-11(17)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyRUZWVURRPLIUEY-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 43609343
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
2-[(2-chloro-4-methylphenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 106863550
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 43609277) is 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1c(F)cccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is RUZWVURRPLIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-10-6-9(16)5-4-8(10)7-21-12-3-1-2-11(17)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 312.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43609277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).