2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide

C23H23FN2O5 — CID 42369054

IUPAC2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccco1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C23H23FN2O5/c1-3-10-25(16-17-7-6-12-31-17)20(27)14-23(18-8-4-5-9-19(18)24)15-21(28)26(22(23)29)11-13-30-2/h1,4-9,12H,10-11,13-16H2,2H3/t23-/m0/s1
InChIKeyKJVHEIQGAAAKNM-QHCPKHFHSA-N
MW426.44 g/mol
LogP2.11
Rot. Bonds9

About 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide

2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (PubChem CID 42369054) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
PubChem CID42369054
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccco1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C23H23FN2O5/c1-3-10-25(16-17-7-6-12-31-17)20(27)14-23(18-8-4-5-9-19(18)24)15-21(28)26(22(23)29)11-13-30-2/h1,4-9,12H,10-11,13-16H2,2H3/t23-/m0/s1
InChIKeyKJVHEIQGAAAKNM-QHCPKHFHSA-N
XLogP2.11
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-prop-2-ynylacetamide
CID 118756346
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
CID 45182402
N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26277994
2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 26282405
2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 45184617
N-(cyclobutylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166765
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42319712
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 126464256
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
CID 74780839
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 118758474
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 125161168
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (CID 42369054) is 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide is C#CCN(Cc1ccco1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O.
What is the InChIKey of 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The InChIKey is KJVHEIQGAAAKNM-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-3-10-25(16-17-7-6-12-31-17)20(27)14-23(18-8-4-5-9-19(18)24)15-21(28)26(22(23)29)11-13-30-2/h1,4-9,12H,10-11,13-16H2,2H3/t23-/m0/s1.
What are the key properties of 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide has a molecular weight of 426.44 g/mol, XLogP of 2.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 42369054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).