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

C12H12ClF3N2O2 — CID 15042207

IUPAC3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H12ClF3N2O2/c1-17-11(19)18-5-8(6-18)20-10-3-2-7(4-9(10)13)12(14,15)16/h2-4,8H,5-6H2,1H3,(H,17,19)
InChIKeyLNDZEFOHYMMADW-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.76
Rot. Bonds2

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

3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide (PubChem CID 15042207) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide
PubChem CID15042207
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H12ClF3N2O2/c1-17-11(19)18-5-8(6-18)20-10-3-2-7(4-9(10)13)12(14,15)16/h2-4,8H,5-6H2,1H3,(H,17,19)
InChIKeyLNDZEFOHYMMADW-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide (CID 15042207) is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide?
The InChIKey is LNDZEFOHYMMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c1-17-11(19)18-5-8(6-18)20-10-3-2-7(4-9(10)13)12(14,15)16/h2-4,8H,5-6H2,1H3,(H,17,19).
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide?
3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylazetidine-1-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 2.76, 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]-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 15042207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).