2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide

C11H15F2N3O — CID 82820343

IUPAC2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1c(F)ccc(C)c1F)/C(N)=N/O
InChIInChI=1S/C11H15F2N3O/c1-3-8(11(14)16-17)15-10-7(12)5-4-6(2)9(10)13/h4-5,8,15,17H,3H2,1-2H3,(H2,14,16)
InChIKeyPPBHYGDMXUWUEN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.21
Rot. Bonds4

About 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide

2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide (PubChem CID 82820343) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
PubChem CID82820343
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1c(F)ccc(C)c1F)/C(N)=N/O
InChIInChI=1S/C11H15F2N3O/c1-3-8(11(14)16-17)15-10-7(12)5-4-6(2)9(10)13/h4-5,8,15,17H,3H2,1-2H3,(H2,14,16)
InChIKeyPPBHYGDMXUWUEN-UHFFFAOYSA-N
XLogP2.21
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.21
H-Bond Donors ≤ 53
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-2-(2,3,5-trifluoroanilino)butanimidamide
CID 77029269
2-(3-bromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028281
N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
CID 77029373
N-(1-amino-1-hydroxyiminobutan-2-yl)-5-fluoro-2-methylbenzamide
CID 76986011
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 62509807
2-(3-chloroanilino)-N'-hydroxybutanimidamide
CID 77026492
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
2-(2-benzylanilino)-N'-hydroxybutanimidamide
CID 77025350
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031381
2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
CID 77028561
2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
CID 77026817

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide (CID 82820343) is 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide is CCC(Nc1c(F)ccc(C)c1F)/C(N)=N/O.
What is the InChIKey of 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide?
The InChIKey is PPBHYGDMXUWUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-3-8(11(14)16-17)15-10-7(12)5-4-6(2)9(10)13/h4-5,8,15,17H,3H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide?
2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide has a molecular weight of 243.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 82820343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).