2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

C19H10ClFN2O2 — CID 9359768

IUPAC2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C19H10ClFN2O2/c20-15-8-3-9-16(21)14(15)10-22-23-18(24)12-6-1-4-11-5-2-7-13(17(11)12)19(23)25/h1-10H/b22-10-
InChIKeyVALGUAQTVGNMBY-YVNNLAQVSA-N
MW352.75 g/mol
LogP4.26
Rot. Bonds2

About 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (PubChem CID 9359768) has the molecular formula C19H10ClFN2O2 and a molecular weight of 352.75 g/mol. Its IUPAC name is 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
PubChem CID9359768
Molecular FormulaC19H10ClFN2O2
Molecular Weight352.75 g/mol
Exact Mass352.04
IUPAC Name2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C19H10ClFN2O2/c20-15-8-3-9-16(21)14(15)10-22-23-18(24)12-6-1-4-11-5-2-7-13(17(11)12)19(23)25/h1-10H/b22-10-
InChIKeyVALGUAQTVGNMBY-YVNNLAQVSA-N
XLogP4.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (CID 9359768) is 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1/N=C\c1c(F)cccc1Cl.
What is the InChIKey of 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is VALGUAQTVGNMBY-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H10ClFN2O2/c20-15-8-3-9-16(21)14(15)10-22-23-18(24)12-6-1-4-11-5-2-7-13(17(11)12)19(23)25/h1-10H/b22-10-.
What are the key properties of 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 352.75 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 9359768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).