5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H19F2N3O — CID 77063764

IUPAC5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNc1ccc(F)cc1F)C(N)=NO
InChIInChI=1S/C13H19F2N3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyPGOHXYVQSFNGPY-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.93
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063764) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063764
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNc1ccc(F)cc1F)C(N)=NO
InChIInChI=1S/C13H19F2N3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyPGOHXYVQSFNGPY-UHFFFAOYSA-N
XLogP2.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
5-(2-bromo-4,6-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063638
N'-hydroxy-2,2-dimethyl-4-(2,3,4-trifluoroanilino)butanimidamide
CID 77062052
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063764) is 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNc1ccc(F)cc1F)C(N)=NO.
What is the InChIKey of 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is PGOHXYVQSFNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 271.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).