N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide

C10H10F3N2O2- — CID 143086086

IUPACN-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1N[O-]
InChIInChI=1S/C10H10F3N2O2/c1-6(16)14-5-7-2-3-8(10(11,12)13)4-9(7)15-17/h2-4,15H,5H2,1H3,(H,14,16)/q-1
InChIKeyAMRBZPCHQWPVIJ-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.25
Rot. Bonds3

About N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide

N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 143086086) has the molecular formula C10H10F3N2O2- and a molecular weight of 247.20 g/mol. Its IUPAC name is N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID143086086
Molecular FormulaC10H10F3N2O2-
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC NameN-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1N[O-]
InChIInChI=1S/C10H10F3N2O2/c1-6(16)14-5-7-2-3-8(10(11,12)13)4-9(7)15-17/h2-4,15H,5H2,1H3,(H,14,16)/q-1
InChIKeyAMRBZPCHQWPVIJ-UHFFFAOYSA-N
XLogP2.25
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
N-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 154645549
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]urea
CID 154744208

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide (CID 143086086) is N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(F)(F)F)cc1N[O-].
What is the InChIKey of N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is AMRBZPCHQWPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N2O2/c1-6(16)14-5-7-2-3-8(10(11,12)13)4-9(7)15-17/h2-4,15H,5H2,1H3,(H,14,16)/q-1.
What are the key properties of N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 247.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 143086086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).