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

C14H12ClFN2O2 — CID 114849596

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c15-10-6-5-9(12(16)7-10)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyKXXLIVHFBIDLDL-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.15
Rot. Bonds4

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

2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 114849596) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID114849596
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c15-10-6-5-9(12(16)7-10)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyKXXLIVHFBIDLDL-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-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 114849596) is 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is KXXLIVHFBIDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-10-6-5-9(12(16)7-10)8-20-13-4-2-1-3-11(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-[(4-chloro-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-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114849596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).