[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

C19H17BrF3NO5 — CID 27766535

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H17BrF3NO5/c1-27-15-7-11(13(20)9-16(15)28-2)8-18(26)29-10-17(25)24-14-6-4-3-5-12(14)19(21,22)23/h3-7,9H,8,10H2,1-2H3,(H,24,25)
InChIKeyCNSXCLALPJQGFX-UHFFFAOYSA-N
MW476.25 g/mol
LogP4.21
Rot. Bonds7

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (PubChem CID 27766535) has the molecular formula C19H17BrF3NO5 and a molecular weight of 476.25 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
PubChem CID27766535
Molecular FormulaC19H17BrF3NO5
Molecular Weight476.25 g/mol
Exact Mass475.02
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCOc1cc(Br)c(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H17BrF3NO5/c1-27-15-7-11(13(20)9-16(15)28-2)8-18(26)29-10-17(25)24-14-6-4-3-5-12(14)19(21,22)23/h3-7,9H,8,10H2,1-2H3,(H,24,25)
InChIKeyCNSXCLALPJQGFX-UHFFFAOYSA-N
XLogP4.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921177
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941
[2-(carbamoylamino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3938129
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
[2-(butan-2-ylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032140
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 27804316

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CID 27766535) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is COc1cc(Br)c(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The InChIKey is CNSXCLALPJQGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO5/c1-27-15-7-11(13(20)9-16(15)28-2)8-18(26)29-10-17(25)24-14-6-4-3-5-12(14)19(21,22)23/h3-7,9H,8,10H2,1-2H3,(H,24,25).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate has a molecular weight of 476.25 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 27766535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).