4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide

C15H17F4NO3 — CID 124574185

IUPAC4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H17F4NO3/c1-9(7-23-11-4-5-22-8-11)20-14(21)12-3-2-10(16)6-13(12)15(17,18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,21)/t9-,11+/m0/s1
InChIKeyODUSMZGFXMYCJF-GXSJLCMTSA-N
MW335.30 g/mol
LogP2.77
Rot. Bonds5

About 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide

4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 124574185) has the molecular formula C15H17F4NO3 and a molecular weight of 335.30 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID124574185
Molecular FormulaC15H17F4NO3
Molecular Weight335.30 g/mol
Exact Mass335.11
IUPAC Name4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H17F4NO3/c1-9(7-23-11-4-5-22-8-11)20-14(21)12-3-2-10(16)6-13(12)15(17,18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,21)/t9-,11+/m0/s1
InChIKeyODUSMZGFXMYCJF-GXSJLCMTSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]carbamoyl]benzoic acid
CID 125132997
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine
CID 75433072
(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
CID 97102257
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
N-[(2R)-1-[(3S)-oxolan-3-yl]oxypropan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129381643
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
CID 136513665
3-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide
CID 119812757
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
heptadecyl 2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739565
2-(2-aminoethyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637561

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide (CID 124574185) is 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide is C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is ODUSMZGFXMYCJF-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H17F4NO3/c1-9(7-23-11-4-5-22-8-11)20-14(21)12-3-2-10(16)6-13(12)15(17,18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,20,21)/t9-,11+/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide?
4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 335.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 124574185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).