N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

C12H13F3N2O2 — CID 13420166

IUPACN-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyXQSZZSGEGKEZKL-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (PubChem CID 13420166) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
PubChem CID13420166
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyXQSZZSGEGKEZKL-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (CID 13420166) is N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is CNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The InChIKey is XQSZZSGEGKEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18).
What are the key properties of N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 13420166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).