N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C15H16F3N3O3 — CID 94824382

IUPACN-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NO[C@@H]1CCCCO1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)14-19-10-5-1-2-6-11(10)21(14)9-12(22)20-24-13-7-3-4-8-23-13/h1-2,5-6,13H,3-4,7-9H2,(H,20,22)/t13-/m1/s1
InChIKeyFBECIRUUHZIGGG-CYBMUJFWSA-N
MW343.31 g/mol
LogP2.63
Rot. Bonds4

About N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 94824382) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID94824382
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NO[C@@H]1CCCCO1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)14-19-10-5-1-2-6-11(10)21(14)9-12(22)20-24-13-7-3-4-8-23-13/h1-2,5-6,13H,3-4,7-9H2,(H,20,22)/t13-/m1/s1
InChIKeyFBECIRUUHZIGGG-CYBMUJFWSA-N
XLogP2.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 30602465
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24679534
N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 94824432
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 94824382) is N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NO[C@@H]1CCCCO1.
What is the InChIKey of N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is FBECIRUUHZIGGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)14-19-10-5-1-2-6-11(10)21(14)9-12(22)20-24-13-7-3-4-8-23-13/h1-2,5-6,13H,3-4,7-9H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 94824382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).