N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C15H19F3N2O3 — CID 58767557

IUPACN-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESC[C@H](O)CNC(=O)N1CC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)6-19-14(22)20-7-13(8-20)23-9-11-2-4-12(5-3-11)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22)/t10-/m0/s1
InChIKeyYSGKTVMKUWZCEY-JTQLQIEISA-N
MW332.32 g/mol
LogP2.00
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 58767557) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID58767557
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESC[C@H](O)CNC(=O)N1CC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)6-19-14(22)20-7-13(8-20)23-9-11-2-4-12(5-3-11)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22)/t10-/m0/s1
InChIKeyYSGKTVMKUWZCEY-JTQLQIEISA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 58767557) is N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is C[C@H](O)CNC(=O)N1CC(OCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is YSGKTVMKUWZCEY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10(21)6-19-14(22)20-7-13(8-20)23-9-11-2-4-12(5-3-11)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 58767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).