N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide

C21H22F3NO3 — CID 131937852

IUPACN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(CCOc1ccccc1)CC1CCCO1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)19-11-5-4-10-18(19)20(26)25(15-17-9-6-13-27-17)12-14-28-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyARVAZQLNIBYIQE-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.41
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide

N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide (PubChem CID 131937852) has the molecular formula C21H22F3NO3 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
PubChem CID131937852
Molecular FormulaC21H22F3NO3
Molecular Weight393.40 g/mol
Exact Mass393.16
IUPAC NameN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(CCOc1ccccc1)CC1CCCO1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)19-11-5-4-10-18(19)20(26)25(15-17-9-6-13-27-17)12-14-28-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyARVAZQLNIBYIQE-UHFFFAOYSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
CID 131903163
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 45184209
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246
3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 125163368
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 26335024

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide (CID 131937852) is N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(CCOc1ccccc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is ARVAZQLNIBYIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)19-11-5-4-10-18(19)20(26)25(15-17-9-6-13-27-17)12-14-28-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide?
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 393.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 131937852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).