(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C15H17F4NO3 — CID 95286084

IUPAC(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H17F4NO3/c1-9(23-8-11-3-2-6-22-11)14(21)20-13-7-10(15(17,18)19)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,21)/t9-,11+/m1/s1
InChIKeyBNPUMSIVHWTNSJ-KOLCDFICSA-N
MW335.30 g/mol
LogP3.37
Rot. Bonds5

About (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95286084) has the molecular formula C15H17F4NO3 and a molecular weight of 335.30 g/mol. Its IUPAC name is (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID95286084
Molecular FormulaC15H17F4NO3
Molecular Weight335.30 g/mol
Exact Mass335.11
IUPAC Name(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H17F4NO3/c1-9(23-8-11-3-2-6-22-11)14(21)20-13-7-10(15(17,18)19)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,21)/t9-,11+/m1/s1
InChIKeyBNPUMSIVHWTNSJ-KOLCDFICSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 95977169
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
CID 60568461
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 95286084) is (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is BNPUMSIVHWTNSJ-KOLCDFICSA-N. The full InChI is InChI=1S/C15H17F4NO3/c1-9(23-8-11-3-2-6-22-11)14(21)20-13-7-10(15(17,18)19)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,21)/t9-,11+/m1/s1.
What are the key properties of (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 335.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95286084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).