2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

C12H13ClF3NO2 — CID 166148019

IUPAC2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C(=O)CCl
InChIInChI=1S/C12H13ClF3NO2/c1-17(11(18)8-13)6-7-19-10-4-2-9(3-5-10)12(14,15)16/h2-5H,6-8H2,1H3
InChIKeyNKOCRKYBKIORND-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 166148019) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID166148019
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C(=O)CCl
InChIInChI=1S/C12H13ClF3NO2/c1-17(11(18)8-13)6-7-19-10-4-2-9(3-5-10)12(14,15)16/h2-5H,6-8H2,1H3
InChIKeyNKOCRKYBKIORND-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134029085
N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 43213636
(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 99826475
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 150416186
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 166148019) is 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is NKOCRKYBKIORND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-17(11(18)8-13)6-7-19-10-4-2-9(3-5-10)12(14,15)16/h2-5H,6-8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 295.69 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 166148019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).