[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

C19H17ClF3NO4 — CID 35576066

IUPAC[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO4/c1-11-3-4-12(2)16(7-11)27-10-18(26)28-9-17(25)24-15-6-5-13(20)8-14(15)19(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,25)
InChIKeyZGTJFSKBCHSARH-UHFFFAOYSA-N
MW415.80 g/mol
LogP4.54
Rot. Bonds6

About [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 35576066) has the molecular formula C19H17ClF3NO4 and a molecular weight of 415.80 g/mol. Its IUPAC name is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID35576066
Molecular FormulaC19H17ClF3NO4
Molecular Weight415.80 g/mol
Exact Mass415.08
IUPAC Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO4/c1-11-3-4-12(2)16(7-11)27-10-18(26)28-9-17(25)24-15-6-5-13(20)8-14(15)19(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,25)
InChIKeyZGTJFSKBCHSARH-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 42963024
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789606
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918767
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839335
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4072962
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8909162
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918872
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2397372

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (CID 35576066) is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is Cc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is ZGTJFSKBCHSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO4/c1-11-3-4-12(2)16(7-11)27-10-18(26)28-9-17(25)24-15-6-5-13(20)8-14(15)19(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,25).
What are the key properties of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 415.80 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 35576066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).