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

C19H20ClFN2O3 — CID 58452715

IUPAC3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCCOc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1F
InChIInChI=1S/C19H20ClFN2O3/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/h3,5-7,9,12-13H,2,4,8,10H2,1H3,(H,22,24)(H,23,25)/t12-,13?/m1/s1
InChIKeyFTYOTOFWIQRXOK-PZORYLMUSA-N
MW378.83 g/mol
LogP3.37
Rot. Bonds6

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

3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (PubChem CID 58452715) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
PubChem CID58452715
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCCOc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1F
InChIInChI=1S/C19H20ClFN2O3/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/h3,5-7,9,12-13H,2,4,8,10H2,1H3,(H,22,24)(H,23,25)/t12-,13?/m1/s1
InChIKeyFTYOTOFWIQRXOK-PZORYLMUSA-N
XLogP3.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (CID 58452715) is 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-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-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The InChIKey is FTYOTOFWIQRXOK-PZORYLMUSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/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/h3,5-7,9,12-13H,2,4,8,10H2,1H3,(H,22,24)(H,23,25)/t12-,13?/m1/s1.
What are the key properties of 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one has a molecular weight of 378.83 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).