(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione

C11H7ClFNO2 — CID 114489016

IUPAC(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2cccc(Cl)c2F)C(=O)N1
InChIInChI=1S/C11H7ClFNO2/c12-8-3-1-2-6(10(8)13)4-7-5-9(15)14-11(7)16/h1-4H,5H2,(H,14,15,16)/b7-4-
InChIKeyDQLOSGFIWYBHEL-DAXSKMNVSA-N
MW239.63 g/mol
LogP1.91
Rot. Bonds1

About (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione

(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 114489016) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID114489016
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2cccc(Cl)c2F)C(=O)N1
InChIInChI=1S/C11H7ClFNO2/c12-8-3-1-2-6(10(8)13)4-7-5-9(15)14-11(7)16/h1-4H,5H2,(H,14,15,16)/b7-4-
InChIKeyDQLOSGFIWYBHEL-DAXSKMNVSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-chlorophenyl)methylidene]pyrrolidine-2,5-dione
CID 44627213
(3E)-3-[(2,4-dichlorophenyl)methylidene]pyrrolidine-2,5-dione
CID 5965753
(3E)-3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 64436305
3-[(4-Fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 72133788
3-[(3-Fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 77040216
3-[(3-Chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
CID 123799198
(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
CID 123939394
(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
CID 141447970
3-[(E)-2-(4-chloro-3-fluorophenyl)but-1-enyl]-4-methyl-5-methylidenepyridine-2,6-dione
CID 153589064
5-[(3-Chloro-4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 176060174
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 42989621
3-(3-chloro-4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 49651280

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione (CID 114489016) is (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C/c2cccc(Cl)c2F)C(=O)N1.
What is the InChIKey of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is DQLOSGFIWYBHEL-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c12-8-3-1-2-6(10(8)13)4-7-5-9(15)14-11(7)16/h1-4H,5H2,(H,14,15,16)/b7-4-.
What are the key properties of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 239.63 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 114489016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).