2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide

C13H14ClF3N2O2 — CID 23170397

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-4,7,11H,5-6H2,1-2H3
InChIKeyUFSMDCREXRLGQH-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.45
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide

2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide (PubChem CID 23170397) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide
PubChem CID23170397
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-4,7,11H,5-6H2,1-2H3
InChIKeyUFSMDCREXRLGQH-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide (CID 23170397) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide is CN(C)C(=O)N1CCC1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide?
The InChIKey is UFSMDCREXRLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-18(2)12(20)19-6-5-11(19)21-10-4-3-8(7-9(10)14)13(15,16)17/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide?
2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide has a molecular weight of 322.71 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N,N-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 23170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).