4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide

C13H12ClF3N2O2 — CID 23170390

IUPAC4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide
SMILESCN(C)C(=O)N1CC=C1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-5,7H,6H2,1-2H3
InChIKeyLHPXLJJYSDQXFP-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.58
Rot. Bonds2

About 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide

4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide (PubChem CID 23170390) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide
PubChem CID23170390
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide
SMILESCN(C)C(=O)N1CC=C1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-5,7H,6H2,1-2H3
InChIKeyLHPXLJJYSDQXFP-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide (CID 23170390) is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide is CN(C)C(=O)N1CC=C1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide?
The InChIKey is LHPXLJJYSDQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide has a molecular weight of 320.70 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethyl-2H-azete-1-carboxamide is sourced from PubChem (CID 23170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).