[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate

C16H13F3N2O5 — CID 2427987

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O5/c17-16(18,19)10-3-5-11(6-4-10)21-13(22)9-26-14(23)8-20-15(24)12-2-1-7-25-12/h1-7H,8-9H2,(H,20,24)(H,21,22)
InChIKeyXFJBJFPIRRRLKZ-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.21
Rot. Bonds6

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 2427987) has the molecular formula C16H13F3N2O5 and a molecular weight of 370.28 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID2427987
Molecular FormulaC16H13F3N2O5
Molecular Weight370.28 g/mol
Exact Mass370.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O5/c17-16(18,19)10-3-5-11(6-4-10)21-13(22)9-26-14(23)8-20-15(24)12-2-1-7-25-12/h1-7H,8-9H2,(H,20,24)(H,21,22)
InChIKeyXFJBJFPIRRRLKZ-UHFFFAOYSA-N
XLogP2.21
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate (CID 2427987) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is XFJBJFPIRRRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O5/c17-16(18,19)10-3-5-11(6-4-10)21-13(22)9-26-14(23)8-20-15(24)12-2-1-7-25-12/h1-7H,8-9H2,(H,20,24)(H,21,22).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 370.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 2427987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).