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

C14H12ClFN2O2 — CID 77013685

IUPAC2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-7-10(5-6-11(12)14(17)18-19)20-8-9-3-1-2-4-13(9)16/h1-7,19H,8H2,(H2,17,18)
InChIKeyANEXHJNQHIJOQG-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 77013685) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID77013685
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-7-10(5-6-11(12)14(17)18-19)20-8-9-3-1-2-4-13(9)16/h1-7,19H,8H2,(H2,17,18)
InChIKeyANEXHJNQHIJOQG-UHFFFAOYSA-N
XLogP3.15
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.15
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-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
4-[(3-bromothiophen-2-yl)methoxy]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102724403
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 77013685) is 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(OCc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ANEXHJNQHIJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-12-7-10(5-6-11(12)14(17)18-19)20-8-9-3-1-2-4-13(9)16/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77013685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).