4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

C23H24Cl2N2O3 — CID 24887289

IUPAC4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCC1
InChIInChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyYYXDIKIRKOJMRP-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.91
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 24887289) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID24887289
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC Name4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCC1
InChIInChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyYYXDIKIRKOJMRP-UHFFFAOYSA-N
XLogP4.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (CID 24887289) is 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is YYXDIKIRKOJMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 447.36 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 24887289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).