N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

C15H18F3NO3 — CID 91777227

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c1-21-13-9-22-7-6-12(13)19-14(20)8-10-4-2-3-5-11(10)15(16,17)18/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyWKRNHSYJVILZRD-CHWSQXEVSA-N
MW317.31 g/mol
LogP2.17
Rot. Bonds4

About N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 91777227) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID91777227
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c1-21-13-9-22-7-6-12(13)19-14(20)8-10-4-2-3-5-11(10)15(16,17)18/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyWKRNHSYJVILZRD-CHWSQXEVSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
CID 91795462
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91772069
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-(9-methylcarbazol-3-yl)acetamide
CID 91772197
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 91777227) is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WKRNHSYJVILZRD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-21-13-9-22-7-6-12(13)19-14(20)8-10-4-2-3-5-11(10)15(16,17)18/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91777227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).