4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one

C14H17ClFNO2 — CID 151607410

IUPAC4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one
SMILESCCOc1c(CC)cc(Cl)c(F)c1C1CNC(=O)C1
InChIInChI=1S/C14H17ClFNO2/c1-3-8-5-10(15)13(16)12(14(8)19-4-2)9-6-11(18)17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyQLTSHNXDQLELAJ-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.04
Rot. Bonds4

About 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one

4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one (PubChem CID 151607410) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one
PubChem CID151607410
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one
SMILESCCOc1c(CC)cc(Cl)c(F)c1C1CNC(=O)C1
InChIInChI=1S/C14H17ClFNO2/c1-3-8-5-10(15)13(16)12(14(8)19-4-2)9-6-11(18)17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyQLTSHNXDQLELAJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one (CID 151607410) is 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one is CCOc1c(CC)cc(Cl)c(F)c1C1CNC(=O)C1.
What is the InChIKey of 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one?
The InChIKey is QLTSHNXDQLELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-3-8-5-10(15)13(16)12(14(8)19-4-2)9-6-11(18)17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one?
4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one has a molecular weight of 285.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxy-3-ethyl-6-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 151607410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).