2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

C15H14F2N2O2 — CID 43658894

IUPAC2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OCc2cccc(F)c2F)cc1)=N\O
InChIInChI=1S/C15H14F2N2O2/c16-13-3-1-2-11(15(13)17)9-21-12-6-4-10(5-7-12)8-14(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyGGUXYYNCXLIKJB-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.83
Rot. Bonds5

About 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (PubChem CID 43658894) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
PubChem CID43658894
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OCc2cccc(F)c2F)cc1)=N\O
InChIInChI=1S/C15H14F2N2O2/c16-13-3-1-2-11(15(13)17)9-21-12-6-4-10(5-7-12)8-14(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyGGUXYYNCXLIKJB-UHFFFAOYSA-N
XLogP2.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (CID 43658894) is 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is N/C(Cc1ccc(OCc2cccc(F)c2F)cc1)=N\O.
What is the InChIKey of 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The InChIKey is GGUXYYNCXLIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-13-3-1-2-11(15(13)17)9-21-12-6-4-10(5-7-12)8-14(18)19-20/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide has a molecular weight of 292.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 43658894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).