5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

C15H19ClFNO — CID 114868138

IUPAC5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2ccc(Cl)cc2F)CCC(=O)N1
InChIInChI=1S/C15H19ClFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyZXNMSDYPZAZHHV-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.72
Rot. Bonds4

About 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 114868138) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID114868138
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2ccc(Cl)cc2F)CCC(=O)N1
InChIInChI=1S/C15H19ClFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyZXNMSDYPZAZHHV-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (CID 114868138) is 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(Cc2ccc(Cl)cc2F)CCC(=O)N1.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is ZXNMSDYPZAZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 283.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 114868138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).