2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H15F2N3O — CID 55045517

IUPAC2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-3-4-9(12)5-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyLRUVJZDISNIIHZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 55045517) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID55045517
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-3-4-9(12)5-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyLRUVJZDISNIIHZ-UHFFFAOYSA-N
XLogP1.53
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 55045517) is 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is LRUVJZDISNIIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-3-4-9(12)5-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 243.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55045517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).