2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C20H20F3NO4 — CID 43035749

IUPAC2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H20F3NO4/c21-20(22,23)28-17-9-3-1-6-14(17)12-24-19(25)16-8-2-4-10-18(16)27-13-15-7-5-11-26-15/h1-4,6,8-10,15H,5,7,11-13H2,(H,24,25)
InChIKeyYMFDQWCVOUVDQY-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.07
Rot. Bonds7

About 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 43035749) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID43035749
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H20F3NO4/c21-20(22,23)28-17-9-3-1-6-14(17)12-24-19(25)16-8-2-4-10-18(16)27-13-15-7-5-11-26-15/h1-4,6,8-10,15H,5,7,11-13H2,(H,24,25)
InChIKeyYMFDQWCVOUVDQY-UHFFFAOYSA-N
XLogP4.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 43035749) is 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YMFDQWCVOUVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c21-20(22,23)28-17-9-3-1-6-14(17)12-24-19(25)16-8-2-4-10-18(16)27-13-15-7-5-11-26-15/h1-4,6,8-10,15H,5,7,11-13H2,(H,24,25).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 395.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 43035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).