4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C16H17FN2O2 — CID 114483296

IUPAC4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-8-12(16(18)19-20)6-7-13(11)9-21-10-14-4-2-3-5-15(14)17/h2-8,20H,9-10H2,1H3,(H2,18,19)
InChIKeyGTMNYTPXWNXUEV-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.95
Rot. Bonds5

About 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114483296) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114483296
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-8-12(16(18)19-20)6-7-13(11)9-21-10-14-4-2-3-5-15(14)17/h2-8,20H,9-10H2,1H3,(H2,18,19)
InChIKeyGTMNYTPXWNXUEV-UHFFFAOYSA-N
XLogP2.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.95
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

N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
CID 114483258
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
N'-hydroxy-3-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)benzenecarboximidamide
CID 114483312
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114483296) is 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1COCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is GTMNYTPXWNXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-8-12(16(18)19-20)6-7-13(11)9-21-10-14-4-2-3-5-15(14)17/h2-8,20H,9-10H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).