3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one

C16H12Cl3NO — CID 73349320

IUPAC3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1NCC(c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO/c17-11-4-1-9(2-5-11)15-12(8-20-16(15)21)10-3-6-13(18)14(19)7-10/h1-7,12,15H,8H2,(H,20,21)
InChIKeyIJNVPBUKXATNNR-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.64
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one

3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one (PubChem CID 73349320) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
PubChem CID73349320
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1NCC(c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO/c17-11-4-1-9(2-5-11)15-12(8-20-16(15)21)10-3-6-13(18)14(19)7-10/h1-7,12,15H,8H2,(H,20,21)
InChIKeyIJNVPBUKXATNNR-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one (CID 73349320) is 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one is O=C1NCC(c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is IJNVPBUKXATNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c17-11-4-1-9(2-5-11)15-12(8-20-16(15)21)10-3-6-13(18)14(19)7-10/h1-7,12,15H,8H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one?
3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 340.64 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 73349320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).