N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide

C12H14F3N3O2 — CID 77056038

IUPACN-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=NO)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3N3O2/c1-6(2)18(5-10(16)17-20)12(19)11-8(14)3-7(13)4-9(11)15/h3-4,6,20H,5H2,1-2H3,(H2,16,17)
InChIKeyJULTXEGFZRPLGP-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.70
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide (PubChem CID 77056038) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
PubChem CID77056038
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=NO)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3N3O2/c1-6(2)18(5-10(16)17-20)12(19)11-8(14)3-7(13)4-9(11)15/h3-4,6,20H,5H2,1-2H3,(H2,16,17)
InChIKeyJULTXEGFZRPLGP-UHFFFAOYSA-N
XLogP1.70
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.70
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'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
3-[propan-2-yl-(2,4,6-trifluorobenzoyl)amino]propanoic acid
CID 65100947
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672038
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104672040
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,6-trifluorobenzamide
CID 77056022
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098970
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide (CID 77056038) is N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide is CC(C)N(CC(N)=NO)C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide?
The InChIKey is JULTXEGFZRPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-6(2)18(5-10(16)17-20)12(19)11-8(14)3-7(13)4-9(11)15/h3-4,6,20H,5H2,1-2H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide has a molecular weight of 289.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 77056038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).