(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

C15H17F3N2O2 — CID 15053358

IUPAC(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H]1C
InChIInChI=1S/C15H17F3N2O2/c1-3-7-19-14(21)20-9-13(10(20)2)22-12-6-4-5-11(8-12)15(16,17)18/h3-6,8,10,13H,1,7,9H2,2H3,(H,19,21)/t10-,13-/m1/s1
InChIKeySYPFZJKKALJQSR-ZWNOBZJWSA-N
MW314.31 g/mol
LogP3.05
Rot. Bonds4

About (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (PubChem CID 15053358) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
PubChem CID15053358
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H]1C
InChIInChI=1S/C15H17F3N2O2/c1-3-7-19-14(21)20-9-13(10(20)2)22-12-6-4-5-11(8-12)15(16,17)18/h3-6,8,10,13H,1,7,9H2,2H3,(H,19,21)/t10-,13-/m1/s1
InChIKeySYPFZJKKALJQSR-ZWNOBZJWSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
CID 15053421
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide
CID 19906222
(2R,3S)-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine;oxalic acid
CID 67885896
(3R,4R)-1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol;oxalic acid
CID 70454092
1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320253
N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide
CID 166925172
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
N-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (CID 15053358) is (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is C=CCNC(=O)N1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The InChIKey is SYPFZJKKALJQSR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-3-7-19-14(21)20-9-13(10(20)2)22-12-6-4-5-11(8-12)15(16,17)18/h3-6,8,10,13H,1,7,9H2,2H3,(H,19,21)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 15053358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).