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

C11H10ClF3N2O2 — CID 23170402

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESNC(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)19-9-3-4-17(9)10(16)18/h1-2,5,9H,3-4H2,(H2,16,18)
InChIKeyBGPIQVWDUHHQOX-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.85
Rot. Bonds2

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

2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (PubChem CID 23170402) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
PubChem CID23170402
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESNC(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)19-9-3-4-17(9)10(16)18/h1-2,5,9H,3-4H2,(H2,16,18)
InChIKeyBGPIQVWDUHHQOX-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (CID 23170402) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is NC(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The InChIKey is BGPIQVWDUHHQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)19-9-3-4-17(9)10(16)18/h1-2,5,9H,3-4H2,(H2,16,18).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide has a molecular weight of 294.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 23170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).