[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C17H14F3NO5 — CID 7727726

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NCC(F)(F)F)o2)cc1
InChIInChI=1S/C17H14F3NO5/c1-10(22)11-2-4-12(5-3-11)13-6-7-14(26-13)16(24)25-8-15(23)21-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyMQFLYXOSMWCFNV-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.98
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727726) has the molecular formula C17H14F3NO5 and a molecular weight of 369.30 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727726
Molecular FormulaC17H14F3NO5
Molecular Weight369.30 g/mol
Exact Mass369.08
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NCC(F)(F)F)o2)cc1
InChIInChI=1S/C17H14F3NO5/c1-10(22)11-2-4-12(5-3-11)13-6-7-14(26-13)16(24)25-8-15(23)21-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyMQFLYXOSMWCFNV-UHFFFAOYSA-N
XLogP2.98
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18202196
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727824
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728055
(2-oxo-2-thiophen-2-ylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728134
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-acetamidobenzoate
CID 7949725
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8565759
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate
CID 2624735

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727726) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NCC(F)(F)F)o2)cc1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is MQFLYXOSMWCFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO5/c1-10(22)11-2-4-12(5-3-11)13-6-7-14(26-13)16(24)25-8-15(23)21-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 369.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).