3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide

C11H15F2N3O — CID 77026244

IUPAC3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N3O/c1-2-7(6-11(14)16-17)15-8-3-4-9(12)10(13)5-8/h3-5,7,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyVAVYYQUIEHUZMQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.29
Rot. Bonds5

About 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide

3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide (PubChem CID 77026244) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
PubChem CID77026244
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N3O/c1-2-7(6-11(14)16-17)15-8-3-4-9(12)10(13)5-8/h3-5,7,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyVAVYYQUIEHUZMQ-UHFFFAOYSA-N
XLogP2.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.29
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-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pentanimidamide
CID 77025322
N'-hydroxy-3-[3-(trifluoromethyl)anilino]pentanimidamide
CID 77025930
3-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032771
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027152
3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
CID 107607002
3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide
CID 77026996
3-(4-chloro-2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77030728
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide (CID 77026244) is 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide?
The InChIKey is VAVYYQUIEHUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-2-7(6-11(14)16-17)15-8-3-4-9(12)10(13)5-8/h3-5,7,15,17H,2,6H2,1H3,(H2,14,16).
What are the key properties of 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide?
3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide has a molecular weight of 243.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).