3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide

C10H10F3N3O2 — CID 57365498

IUPAC3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESNC(CC(=O)Nc1ccccc1C(F)(F)F)=NO
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)6-3-1-2-4-7(6)15-9(17)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)(H,15,17)
InChIKeyFTXWWDMYFACTLC-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide

3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 57365498) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID57365498
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESNC(CC(=O)Nc1ccccc1C(F)(F)F)=NO
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)6-3-1-2-4-7(6)15-9(17)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)(H,15,17)
InChIKeyFTXWWDMYFACTLC-UHFFFAOYSA-N
XLogP1.78
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.78
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

3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
CID 53397139
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
1-(3-amino-3-hydroxyiminopropyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314437
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314622
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
tert-butyl 2-[(3-amino-3-hydroxyiminopropanoyl)amino]benzoate
CID 72566185

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide (CID 57365498) is 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide is NC(CC(=O)Nc1ccccc1C(F)(F)F)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FTXWWDMYFACTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)6-3-1-2-4-7(6)15-9(17)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide?
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 261.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 57365498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).