1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one

C11H11ClFNO — CID 91070786

IUPAC1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFNO/c1-7-2-5-11(15)14(7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3
InChIKeyCJAKMLKZGMKHSZ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.99
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one

1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one (PubChem CID 91070786) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
PubChem CID91070786
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFNO/c1-7-2-5-11(15)14(7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3
InChIKeyCJAKMLKZGMKHSZ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,7aS)-2-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-3,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,5-dione
CID 42584308
1-(4-chloroisoquinolin-6-yl)-5-methylpyrrolidin-2-one
CID 118660709
1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 117062890
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
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CID 86621143
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one
CID 67953121
(2S)-N-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953914
(2S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260725
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbaldehyde
CID 170357825
1-(3-chloro-4-fluorophenyl)-7-methyl-1,4-diazepane
CID 82293523
2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione
CID 168516358

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one (CID 91070786) is 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is CJAKMLKZGMKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-7-2-5-11(15)14(7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 227.67 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 91070786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).