N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide

C17H14F5NO2 — CID 55609390

IUPACN-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5NO2/c1-2-23(11-7-8-13(18)14(19)9-11)16(24)10-25-15-6-4-3-5-12(15)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyUZUKJDSGAHJRIN-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.42
Rot. Bonds5

About N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide

N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55609390) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID55609390
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5NO2/c1-2-23(11-7-8-13(18)14(19)9-11)16(24)10-25-15-6-4-3-5-12(15)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyUZUKJDSGAHJRIN-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86934031
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 55609390) is N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide is CCN(C(=O)COc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UZUKJDSGAHJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO2/c1-2-23(11-7-8-13(18)14(19)9-11)16(24)10-25-15-6-4-3-5-12(15)17(20,21)22/h3-9H,2,10H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 359.29 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55609390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).