2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15FN2O2 — CID 107109832

IUPAC2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyHACGXRDDECFABU-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.81
Rot. Bonds4

About 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109832) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109832
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyHACGXRDDECFABU-UHFFFAOYSA-N
XLogP2.81
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.81
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]-3-methylbenzenecarbothioamide
CID 107108925
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109832) is 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is HACGXRDDECFABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).