2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione

C19H10Cl2N2O3 — CID 5437075

IUPAC2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H10Cl2N2O3/c20-15-7-5-11(9-16(15)21)17-8-6-12(26-17)10-22-23-18(24)13-3-1-2-4-14(13)19(23)25/h1-10H/b22-10-
InChIKeyHUGCTKKNBJCGMY-YVNNLAQVSA-N
MW385.21 g/mol
LogP4.88
Rot. Bonds3

About 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione

2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione (PubChem CID 5437075) has the molecular formula C19H10Cl2N2O3 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
PubChem CID5437075
Molecular FormulaC19H10Cl2N2O3
Molecular Weight385.21 g/mol
Exact Mass384.01
IUPAC Name2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H10Cl2N2O3/c20-15-7-5-11(9-16(15)21)17-8-6-12(26-17)10-22-23-18(24)13-3-1-2-4-14(13)19(23)25/h1-10H/b22-10-
InChIKeyHUGCTKKNBJCGMY-YVNNLAQVSA-N
XLogP4.88
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
(1R,2S,6S,7R,8S,10S)-4-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98104926
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
(4Z)-2-(2-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19664302
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126127322
4-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 71950812
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenylpropane-1,3-dione
CID 3345300
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871813
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-chloro-5-[5-[[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]furan-2-yl]benzoic acid
CID 124920174

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione (CID 5437075) is 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione?
The InChIKey is HUGCTKKNBJCGMY-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H10Cl2N2O3/c20-15-7-5-11(9-16(15)21)17-8-6-12(26-17)10-22-23-18(24)13-3-1-2-4-14(13)19(23)25/h1-10H/b22-10-.
What are the key properties of 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione?
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione has a molecular weight of 385.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5437075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).