1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione

C11H7ClFNO2 — CID 82117290

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-5H,6H2
InChIKeyINHMIQMYGIDZPG-UHFFFAOYSA-N
MW239.63 g/mol
LogP1.90
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione

1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione (PubChem CID 82117290) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
PubChem CID82117290
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-5H,6H2
InChIKeyINHMIQMYGIDZPG-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6020032
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
CID 91385427
ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 2767597
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 60622977
CID 167462330
CID 167462330
4-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-difluorophenyl)-1,2,4-benzothiadiazin-3-one
CID 118046246
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
5-[(4-bromophenyl)methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3353219

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione (CID 82117290) is 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is INHMIQMYGIDZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-5H,6H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione?
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 239.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 82117290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).