(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide

C15H17F3N2O3 — CID 99824974

IUPAC(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(=O)N1CC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17F3N2O3/c1-9(14(22)19-12-7-20(8-12)10(2)21)23-13-5-3-11(4-6-13)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyYQBGEXGTYWDYDI-SECBINFHSA-N
MW330.31 g/mol
LogP1.82
Rot. Bonds4

About (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide

(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 99824974) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID99824974
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(=O)N1CC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17F3N2O3/c1-9(14(22)19-12-7-20(8-12)10(2)21)23-13-5-3-11(4-6-13)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyYQBGEXGTYWDYDI-SECBINFHSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide (CID 99824974) is (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide is CC(=O)N1CC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is YQBGEXGTYWDYDI-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9(14(22)19-12-7-20(8-12)10(2)21)23-13-5-3-11(4-6-13)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,22)/t9-/m1/s1.
What are the key properties of (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 330.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 99824974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).