[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C17H16FNO4 — CID 9010151

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1F
InChIInChI=1S/C17H16FNO4/c18-15-6-2-1-4-13(15)9-10-19-16(20)12-23-17(21)8-7-14-5-3-11-22-14/h1-8,11H,9-10,12H2,(H,19,20)/b8-7+
InChIKeyURASWZQOJGAKLA-BQYQJAHWSA-N
MW317.32 g/mol
LogP2.33
Rot. Bonds7

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 9010151) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID9010151
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1F
InChIInChI=1S/C17H16FNO4/c18-15-6-2-1-4-13(15)9-10-19-16(20)12-23-17(21)8-7-14-5-3-11-22-14/h1-8,11H,9-10,12H2,(H,19,20)/b8-7+
InChIKeyURASWZQOJGAKLA-BQYQJAHWSA-N
XLogP2.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010152
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011066
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7627154
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5151438
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3490448
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156
[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4604786

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 9010151) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is URASWZQOJGAKLA-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-15-6-2-1-4-13(15)9-10-19-16(20)12-23-17(21)8-7-14-5-3-11-22-14/h1-8,11H,9-10,12H2,(H,19,20)/b8-7+.
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 317.32 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 9010151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).