5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

C15H19ClFNO — CID 104687653

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2c(F)cccc2Cl)CCC(=O)N1
InChIInChI=1S/C15H19ClFNO/c1-10(2)8-15(7-6-14(19)18-15)9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyKCUQIVQNPVCFAF-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.72
Rot. Bonds4

About 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 104687653) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID104687653
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2c(F)cccc2Cl)CCC(=O)N1
InChIInChI=1S/C15H19ClFNO/c1-10(2)8-15(7-6-14(19)18-15)9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyKCUQIVQNPVCFAF-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-[(2-chloro-6-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

Related Compounds

5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775
3-acetyl-3-[(2-chloro-6-fluorophenyl)methyl]oxolan-2-one
CID 103343684
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66468283
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylazepane
CID 79118175
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65377639
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (CID 104687653) is 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(Cc2c(F)cccc2Cl)CCC(=O)N1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is KCUQIVQNPVCFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10(2)8-15(7-6-14(19)18-15)9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
5-[(2-chloro-6-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-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104687653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).