2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H15F2N3O — CID 76928067

IUPAC2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyQLSUFAKSDCJETO-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76928067) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76928067
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyQLSUFAKSDCJETO-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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Related Compounds

2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 77065105
3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992078
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide
CID 76928439
N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide
CID 76946355
3-[(2,5-difluorophenyl)methyl-methylamino]butanenitrile
CID 55218439
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
3-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987512
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-carbamoylpropanamide
CID 47085281
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 76928067) is 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is QLSUFAKSDCJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
2-[(2,5-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-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).