2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile

C18H12Cl2N2O2 — CID 126166181

IUPAC2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C
InChIInChI=1S/C18H12Cl2N2O2/c1-10-11(2)23-18(15(10)8-21)22-9-13-4-6-17(24-13)14-7-12(19)3-5-16(14)20/h3-7,9H,1-2H3
InChIKeyBKHQVRIAYBWFCZ-UHFFFAOYSA-N
MW359.21 g/mol
LogP6.09
Rot. Bonds3

About 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile

2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile (PubChem CID 126166181) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
PubChem CID126166181
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C
InChIInChI=1S/C18H12Cl2N2O2/c1-10-11(2)23-18(15(10)8-21)22-9-13-4-6-17(24-13)14-7-12(19)3-5-16(14)20/h3-7,9H,1-2H3
InChIKeyBKHQVRIAYBWFCZ-UHFFFAOYSA-N
XLogP6.09
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126357947
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 1276399
2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 126153768
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 659930
2-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 135449220
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
(6R)-6-tert-butyl-2-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 126091363
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50883766
(5E)-1-cyclopentyl-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112235
1-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 3104270
2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 171132338

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile (CID 126166181) is 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile is Cc1oc(N=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C.
What is the InChIKey of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is BKHQVRIAYBWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c1-10-11(2)23-18(15(10)8-21)22-9-13-4-6-17(24-13)14-7-12(19)3-5-16(14)20/h3-7,9H,1-2H3.
What are the key properties of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 359.21 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 126166181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).