N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C16H20F3NO2 — CID 124536730

IUPACN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-20(11-13-7-4-5-9-22-13)15(21)10-12-6-2-3-8-14(12)16(17,18)19/h2-3,6,8,13H,4-5,7,9-11H2,1H3/t13-/m1/s1
InChIKeyISNHXDOHEMTMFN-CYBMUJFWSA-N
MW315.33 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 124536730) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID124536730
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-20(11-13-7-4-5-9-22-13)15(21)10-12-6-2-3-8-14(12)16(17,18)19/h2-3,6,8,13H,4-5,7,9-11H2,1H3/t13-/m1/s1
InChIKeyISNHXDOHEMTMFN-CYBMUJFWSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97313614
4-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 107081247
[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7298330
1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 164638231

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 124536730) is N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is CN(C[C@H]1CCCCO1)C(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ISNHXDOHEMTMFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-20(11-13-7-4-5-9-22-13)15(21)10-12-6-2-3-8-14(12)16(17,18)19/h2-3,6,8,13H,4-5,7,9-11H2,1H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 124536730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).