3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one

C21H24ClNO — CID 19097806

IUPAC3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCCC1CN(c2cccc(C(C)C)c2)C(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C21H24ClNO/c1-4-15-13-23(19-10-6-7-16(12-19)14(2)3)21(24)20(15)17-8-5-9-18(22)11-17/h5-12,14-15,20H,4,13H2,1-3H3
InChIKeyQRHDQIGANOWLRG-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.62
Rot. Bonds4

About 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one

3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 19097806) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID19097806
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCCC1CN(c2cccc(C(C)C)c2)C(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C21H24ClNO/c1-4-15-13-23(19-10-6-7-16(12-19)14(2)3)21(24)20(15)17-8-5-9-18(22)11-17/h5-12,14-15,20H,4,13H2,1-3H3
InChIKeyQRHDQIGANOWLRG-UHFFFAOYSA-N
XLogP5.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one (CID 19097806) is 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one is CCC1CN(c2cccc(C(C)C)c2)C(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is QRHDQIGANOWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-4-15-13-23(19-10-6-7-16(12-19)14(2)3)21(24)20(15)17-8-5-9-18(22)11-17/h5-12,14-15,20H,4,13H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one?
3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 341.88 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 19097806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).