3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide

C12H16FN3O2 — CID 76930946

IUPAC3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C(N)=NO)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-12(2,10(14)15-18)11(17)16(3)9-7-5-4-6-8(9)13/h4-7,18H,1-3H3,(H2,14,15)
InChIKeyPPXBCWKEOQNEKI-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide

3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide (PubChem CID 76930946) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
PubChem CID76930946
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C(N)=NO)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-12(2,10(14)15-18)11(17)16(3)9-7-5-4-6-8(9)13/h4-7,18H,1-3H3,(H2,14,15)
InChIKeyPPXBCWKEOQNEKI-UHFFFAOYSA-N
XLogP1.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide (CID 76930946) is 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C(N)=NO)c1ccccc1F.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
The InChIKey is PPXBCWKEOQNEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-12(2,10(14)15-18)11(17)16(3)9-7-5-4-6-8(9)13/h4-7,18H,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide?
3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide has a molecular weight of 253.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide is sourced from PubChem (CID 76930946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).