3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C19H18ClFN2O3 — CID 58452444

IUPAC3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCCOc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1F
InChIInChI=1S/C19H18ClFN2O3/c1-2-26-17-7-3-11(9-15(17)21)13(10-12-4-8-18(24)22-12)16-6-5-14(20)19(25)23-16/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,22,24)(H,23,25)/b13-10+/t12-/m1/s1
InChIKeyLDMKAMVLSBCMKV-GMCKNXKJSA-N
MW376.82 g/mol
LogP3.28
Rot. Bonds5

About 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452444) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452444
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCCOc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1F
InChIInChI=1S/C19H18ClFN2O3/c1-2-26-17-7-3-11(9-15(17)21)13(10-12-4-8-18(24)22-12)16-6-5-14(20)19(25)23-16/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,22,24)(H,23,25)/b13-10+/t12-/m1/s1
InChIKeyLDMKAMVLSBCMKV-GMCKNXKJSA-N
XLogP3.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452444) is 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is CCOc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1F.
What is the InChIKey of 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is LDMKAMVLSBCMKV-GMCKNXKJSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-2-26-17-7-3-11(9-15(17)21)13(10-12-4-8-18(24)22-12)16-6-5-14(20)19(25)23-16/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,22,24)(H,23,25)/b13-10+/t12-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 376.82 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).