1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one

C18H16ClNO3 — CID 2831496

IUPAC1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H16ClNO3/c19-15-6-8-16(9-7-15)23-12-18(22)20-11-14(10-17(20)21)13-4-2-1-3-5-13/h1-9,14H,10-12H2
InChIKeyBFXUPXZAPMLLGY-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one

1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one (PubChem CID 2831496) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one
PubChem CID2831496
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H16ClNO3/c19-15-6-8-16(9-7-15)23-12-18(22)20-11-14(10-17(20)21)13-4-2-1-3-5-13/h1-9,14H,10-12H2
InChIKeyBFXUPXZAPMLLGY-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one (CID 2831496) is 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one is O=C(COc1ccc(Cl)cc1)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one?
The InChIKey is BFXUPXZAPMLLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-15-6-8-16(9-7-15)23-12-18(22)20-11-14(10-17(20)21)13-4-2-1-3-5-13/h1-9,14H,10-12H2.
What are the key properties of 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one?
1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one has a molecular weight of 329.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 2831496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).