(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione

C17H10ClF2NO2 — CID 110457954

IUPAC(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(F)cc2F)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H10ClF2NO2/c18-12-2-1-3-14(8-12)21-16(22)7-11(17(21)23)6-10-4-5-13(19)9-15(10)20/h1-6,8-9H,7H2/b11-6+
InChIKeyNJHAOJMZAJKONS-IZZDOVSWSA-N
MW333.72 g/mol
LogP3.97
Rot. Bonds2

About (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione

(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 110457954) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID110457954
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2ccc(F)cc2F)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H10ClF2NO2/c18-12-2-1-3-14(8-12)21-16(22)7-11(17(21)23)6-10-4-5-13(19)9-15(10)20/h1-6,8-9H,7H2/b11-6+
InChIKeyNJHAOJMZAJKONS-IZZDOVSWSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione (CID 110457954) is (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C\c2ccc(F)cc2F)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is NJHAOJMZAJKONS-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c18-12-2-1-3-14(8-12)21-16(22)7-11(17(21)23)6-10-4-5-13(19)9-15(10)20/h1-6,8-9H,7H2/b11-6+.
What are the key properties of (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 333.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 110457954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).