1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one

C21H24ClNO2 — CID 73175494

IUPAC1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
SMILESCCCOC(c1ccc(Cl)cc1)C(c1ccccc1)N1CCCC1=O
InChIInChI=1S/C21H24ClNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3
InChIKeyNCXZWMWYZLKFEW-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.17
Rot. Bonds7

About 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one

1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one (PubChem CID 73175494) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
PubChem CID73175494
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
SMILESCCCOC(c1ccc(Cl)cc1)C(c1ccccc1)N1CCCC1=O
InChIInChI=1S/C21H24ClNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3
InChIKeyNCXZWMWYZLKFEW-UHFFFAOYSA-N
XLogP5.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one (CID 73175494) is 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one is CCCOC(c1ccc(Cl)cc1)C(c1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
The InChIKey is NCXZWMWYZLKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-2-15-25-21(17-10-12-18(22)13-11-17)20(16-7-4-3-5-8-16)23-14-6-9-19(23)24/h3-5,7-8,10-13,20-21H,2,6,9,14-15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one?
1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one has a molecular weight of 357.88 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 73175494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).