3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide

C9H11F2N3O — CID 77032102

IUPAC3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
SMILESNC(CCNc1cccc(F)c1F)=NO
InChIInChI=1S/C9H11F2N3O/c10-6-2-1-3-7(9(6)11)13-5-4-8(12)14-15/h1-3,13,15H,4-5H2,(H2,12,14)
InChIKeyCQSQHXWYYOFFLZ-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.51
Rot. Bonds4

About 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide

3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 77032102) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
PubChem CID77032102
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
SMILESNC(CCNc1cccc(F)c1F)=NO
InChIInChI=1S/C9H11F2N3O/c10-6-2-1-3-7(9(6)11)13-5-4-8(12)14-15/h1-3,13,15H,4-5H2,(H2,12,14)
InChIKeyCQSQHXWYYOFFLZ-UHFFFAOYSA-N
XLogP1.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.51
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-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
CID 77029578
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
CID 76948126
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
N'-hydroxy-4-(2-methylanilino)butanimidamide
CID 77025856
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide (CID 77032102) is 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide is NC(CCNc1cccc(F)c1F)=NO.
What is the InChIKey of 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is CQSQHXWYYOFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-6-2-1-3-7(9(6)11)13-5-4-8(12)14-15/h1-3,13,15H,4-5H2,(H2,12,14).
What are the key properties of 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide?
3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 215.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77032102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).