N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide

C13H14F3NO3 — CID 97333881

IUPACN-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
SMILESC[C@@H]1OCC[C@H]1NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8-10(6-7-19-8)17-12(18)9-4-2-3-5-11(9)20-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/t8-,10+/m0/s1
InChIKeyUMJHYYRQEARPDH-WCBMZHEXSA-N
MW289.25 g/mol
LogP2.49
Rot. Bonds3

About N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide

N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 97333881) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
PubChem CID97333881
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
SMILESC[C@@H]1OCC[C@H]1NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8-10(6-7-19-8)17-12(18)9-4-2-3-5-11(9)20-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/t8-,10+/m0/s1
InChIKeyUMJHYYRQEARPDH-WCBMZHEXSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 156609682
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 91798052
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
CID 141030215
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide (CID 97333881) is N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide is C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is UMJHYYRQEARPDH-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8-10(6-7-19-8)17-12(18)9-4-2-3-5-11(9)20-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/t8-,10+/m0/s1.
What are the key properties of N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide?
N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 289.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 97333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).