2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one

C11H9ClFNO — CID 118342099

IUPAC2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9ClFNO/c1-7-6-10(12)14(11(7)15)9-5-3-2-4-8(9)13/h2-6,10H,1H3
InChIKeyHEXFMYLTMUQYBX-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.68
Rot. Bonds1

About 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one

2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one (PubChem CID 118342099) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one
PubChem CID118342099
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9ClFNO/c1-7-6-10(12)14(11(7)15)9-5-3-2-4-8(9)13/h2-6,10H,1H3
InChIKeyHEXFMYLTMUQYBX-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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3-cyclopropyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
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tert-butyl 3-[[1-(2-fluorophenyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one (CID 118342099) is 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one is CC1=CC(Cl)N(c2ccccc2F)C1=O.
What is the InChIKey of 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one?
The InChIKey is HEXFMYLTMUQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-7-6-10(12)14(11(7)15)9-5-3-2-4-8(9)13/h2-6,10H,1H3.
What are the key properties of 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one?
2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one has a molecular weight of 225.65 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-fluorophenyl)-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 118342099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).