[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate

C18H15F3N2O6 — CID 38907890

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O6/c19-18(20,21)29-12-7-5-11(6-8-12)23-16(25)10-28-17(26)13-3-1-2-4-14(13)27-9-15(22)24/h1-8H,9-10H2,(H2,22,24)(H,23,25)
InChIKeyQGEBAHHNURBHBO-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.24
Rot. Bonds8

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 38907890) has the molecular formula C18H15F3N2O6 and a molecular weight of 412.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID38907890
Molecular FormulaC18H15F3N2O6
Molecular Weight412.32 g/mol
Exact Mass412.09
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O6/c19-18(20,21)29-12-7-5-11(6-8-12)23-16(25)10-28-17(26)13-3-1-2-4-14(13)27-9-15(22)24/h1-8H,9-10H2,(H2,22,24)(H,23,25)
InChIKeyQGEBAHHNURBHBO-UHFFFAOYSA-N
XLogP2.24
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
2-naphthalen-1-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 94848502
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
[2-(2-iodoanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908484
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785087

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate (CID 38907890) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate is NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is QGEBAHHNURBHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O6/c19-18(20,21)29-12-7-5-11(6-8-12)23-16(25)10-28-17(26)13-3-1-2-4-14(13)27-9-15(22)24/h1-8H,9-10H2,(H2,22,24)(H,23,25).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 412.32 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 38907890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).