N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide

C13H14F3NO3 — CID 40973251

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/t11-/m1/s1
InChIKeyYNUGYNIZJDMLGE-LLVKDONJSA-N
MW289.25 g/mol
LogP2.49
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 40973251) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID40973251
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/t11-/m1/s1
InChIKeyYNUGYNIZJDMLGE-LLVKDONJSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 40981814
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 40973251) is N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is YNUGYNIZJDMLGE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 289.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 40973251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).