2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide

C10H13ClFN3O — CID 103038141

IUPAC2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(C/C(N)=N/O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-9(12)8(11)4-7/h2-4,16H,5-6H2,1H3,(H2,13,14)
InChIKeyGBDOBKLBLOYAFE-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.66
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide

2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 103038141) has the molecular formula C10H13ClFN3O and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID103038141
Molecular FormulaC10H13ClFN3O
Molecular Weight245.69 g/mol
Exact Mass245.07
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(C/C(N)=N/O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-9(12)8(11)4-7/h2-4,16H,5-6H2,1H3,(H2,13,14)
InChIKeyGBDOBKLBLOYAFE-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

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76928893
1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
2-[(4-chloro-3-fluorophenyl)methyl-propylamino]-N'-hydroxyethanimidamide
CID 107881670
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873732
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
3-[[(3-chloro-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 103038171
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
2-[(3-chloro-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425991
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (CID 103038141) is 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is CN(C/C(N)=N/O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is GBDOBKLBLOYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-15(6-10(13)14-16)5-7-2-3-9(12)8(11)4-7/h2-4,16H,5-6H2,1H3,(H2,13,14).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
2-[(3-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-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103038141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).