[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

C25H20F3NO5 — CID 2441220

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H20F3NO5/c1-2-33-24(32)20-9-5-6-10-21(20)29-22(30)15-34-23(31)19-8-4-3-7-18(19)16-11-13-17(14-12-16)25(26,27)28/h3-14H,2,15H2,1H3,(H,29,30)
InChIKeyHUIAGLZYCOPJCD-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.34
Rot. Bonds7

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (PubChem CID 2441220) has the molecular formula C25H20F3NO5 and a molecular weight of 471.43 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
PubChem CID2441220
Molecular FormulaC25H20F3NO5
Molecular Weight471.43 g/mol
Exact Mass471.13
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H20F3NO5/c1-2-33-24(32)20-9-5-6-10-21(20)29-22(30)15-34-23(31)19-8-4-3-7-18(19)16-11-13-17(14-12-16)25(26,27)28/h3-14H,2,15H2,1H3,(H,29,30)
InChIKeyHUIAGLZYCOPJCD-UHFFFAOYSA-N
XLogP5.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
[2-(2-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-acetylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 2406749
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
[2-(4-nitroanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 5080642
ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 42964864
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (CID 2441220) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The InChIKey is HUIAGLZYCOPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO5/c1-2-33-24(32)20-9-5-6-10-21(20)29-22(30)15-34-23(31)19-8-4-3-7-18(19)16-11-13-17(14-12-16)25(26,27)28/h3-14H,2,15H2,1H3,(H,29,30).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate has a molecular weight of 471.43 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 2441220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).