[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C16H14F3NO4 — CID 2337070

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccco1
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)12-4-1-3-11(7-12)8-15(22)24-10-14(21)20-9-13-5-2-6-23-13/h1-7H,8-10H2,(H,20,21)
InChIKeyYXMHNXIXOVFRBG-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.70
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2337070) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2337070
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccco1
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)12-4-1-3-11(7-12)8-15(22)24-10-14(21)20-9-13-5-2-6-23-13/h1-7H,8-10H2,(H,20,21)
InChIKeyYXMHNXIXOVFRBG-UHFFFAOYSA-N
XLogP2.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
2-(Furan-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
CID 565567
N-benzylfuran-2-carboxamide
CID 347531
(1-Hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
CID 41493323
[2-(Furan-2-ylmethylamino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
CID 2999124

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2337070) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is YXMHNXIXOVFRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c17-16(18,19)12-4-1-3-11(7-12)8-15(22)24-10-14(21)20-9-13-5-2-6-23-13/h1-7H,8-10H2,(H,20,21).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 341.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2337070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).