2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C14H16ClF3N2O2 — CID 99835116

IUPAC2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C14H16ClF3N2O2/c15-10-3-1-9(2-4-10)13-11(5-6-22-13)19-7-12(21)20-8-14(16,17)18/h1-4,11,13,19H,5-8H2,(H,20,21)/t11-,13-/m1/s1
InChIKeyBXQQUIZJIAWLJB-DGCLKSJQSA-N
MW336.74 g/mol
LogP2.44
Rot. Bonds5

About 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 99835116) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID99835116
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C14H16ClF3N2O2/c15-10-3-1-9(2-4-10)13-11(5-6-22-13)19-7-12(21)20-8-14(16,17)18/h1-4,11,13,19H,5-8H2,(H,20,21)/t11-,13-/m1/s1
InChIKeyBXQQUIZJIAWLJB-DGCLKSJQSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 99835116) is 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCC(F)(F)F.
What is the InChIKey of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXQQUIZJIAWLJB-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-10-3-1-9(2-4-10)13-11(5-6-22-13)19-7-12(21)20-8-14(16,17)18/h1-4,11,13,19H,5-8H2,(H,20,21)/t11-,13-/m1/s1.
What are the key properties of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 336.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 99835116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).