2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide

C10H13ClFN3O — CID 76928893

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-8(12)4-9(7)11/h2-4,16H,5-6H2,1H3,(H2,13,14)
InChIKeyUEXSAOQPTIQEKB-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.66
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 76928893) has the molecular formula C10H13ClFN3O and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID76928893
Molecular FormulaC10H13ClFN3O
Molecular Weight245.69 g/mol
Exact Mass245.07
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-8(12)4-9(7)11/h2-4,16H,5-6H2,1H3,(H2,13,14)
InChIKeyUEXSAOQPTIQEKB-UHFFFAOYSA-N
XLogP1.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.66
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

3-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987512
2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 103038141
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873732
3-[(2-chloro-4-fluorophenyl)methyl-cyclopropylamino]-N'-hydroxypropanimidamide
CID 54997772
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 86897303
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243408
3-[[(2-chloro-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62968244
N-(2-amino-2-hydroxyiminoethyl)-2-chloro-4-fluoro-N-propylbenzamide
CID 76927767
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119320659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (CID 76928893) is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is UEXSAOQPTIQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-8(12)4-9(7)11/h2-4,16H,5-6H2,1H3,(H2,13,14).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 245.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).