3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

C11H10ClF3N2O2 — CID 15042206

IUPAC3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)1-2-9(8)19-7-4-17(5-7)10(16)18/h1-3,7H,4-5H2,(H2,16,18)
InChIKeyXZENIWIJZMUSCW-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.50
Rot. Bonds2

About 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (PubChem CID 15042206) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
PubChem CID15042206
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)1-2-9(8)19-7-4-17(5-7)10(16)18/h1-3,7H,4-5H2,(H2,16,18)
InChIKeyXZENIWIJZMUSCW-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-1-azetidinecarboxamide
CID 9840167
3-(4-Trifluoromethylphenoxy)-N-methyl-1-azetidinecarboxamide
CID 13420166
3-[4-(Trifluoromethyl)phenoxy]azetidine-1-carboxamide
CID 13565792
3-[2-Chloro-4-(trifluoromethyl)phenoxy]-1-azetidinecarbonyl chloride
CID 15042205
3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-methyl-1-azetidinecarboxamide
CID 15042207
3-(2-Chloro-4-fluorophenoxy)-N-methyl-1-azetidinecarboxamide
CID 15042218
3-(2-Chloro-5-trifluoromethylphenoxy)-1-azetidinecarbonyl chloride
CID 15042232
2-(2-Chloro-4-(trifluoromethyl)phenoxy)ethanamine
CID 18961233
3-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(2-propenyl)-1-azetidinecarboxamide
CID 19906222
Azetidine,3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CID 19906223
3-[2-Chloro-5-(trifluoromethyl)phenoxy]-N-methyl-1-azetidinecarboxamide
CID 19906226
4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide
CID 23170390

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (CID 15042206) is 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is NC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The InChIKey is XZENIWIJZMUSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)1-2-9(8)19-7-4-17(5-7)10(16)18/h1-3,7H,4-5H2,(H2,16,18).
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide has a molecular weight of 294.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 15042206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).