2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide

C17H14ClF4NO3 — CID 21388403

IUPAC2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF4NO3/c18-11-3-1-10(2-4-11)15(16(25)23-7-8-24)26-12-5-6-14(19)13(9-12)17(20,21)22/h1-6,9,15,24H,7-8H2,(H,23,25)
InChIKeyKWUGJYURTVGNHP-UHFFFAOYSA-N
MW391.75 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide

2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 21388403) has the molecular formula C17H14ClF4NO3 and a molecular weight of 391.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide
PubChem CID21388403
Molecular FormulaC17H14ClF4NO3
Molecular Weight391.75 g/mol
Exact Mass391.06
IUPAC Name2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF4NO3/c18-11-3-1-10(2-4-11)15(16(25)23-7-8-24)26-12-5-6-14(19)13(9-12)17(20,21)22/h1-6,9,15,24H,7-8H2,(H,23,25)
InChIKeyKWUGJYURTVGNHP-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.75
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamidoethyl 2-(4-fluorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetate
CID 54387512
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
2-acetamidoethyl 2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid;N-(2-hydroxyethyl)acetamide;thionyl dichloride
CID 158156300
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
methyl (3R)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79020632
methyl (3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171240523
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-oxobutanamide;ethane
CID 156827594
2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide (CID 21388403) is 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide is O=C(NCCO)C(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The InChIKey is KWUGJYURTVGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO3/c18-11-3-1-10(2-4-11)15(16(25)23-7-8-24)26-12-5-6-14(19)13(9-12)17(20,21)22/h1-6,9,15,24H,7-8H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 391.75 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 21388403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).