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

C14H10Cl2N2O — CID 684477

IUPAC2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C14H10Cl2N2O/c1-8-9(2)19-14(12(8)6-17)18-7-10-3-4-11(15)5-13(10)16/h3-5,7H,1-2H3
InChIKeyXWGMVBYXQUHELQ-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.83
Rot. Bonds2

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

2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (PubChem CID 684477) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
PubChem CID684477
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C14H10Cl2N2O/c1-8-9(2)19-14(12(8)6-17)18-7-10-3-4-11(15)5-13(10)16/h3-5,7H,1-2H3
InChIKeyXWGMVBYXQUHELQ-UHFFFAOYSA-N
XLogP4.83
TPSA49.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (CID 684477) is 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is Cc1oc(N=Cc2ccc(Cl)cc2Cl)c(C#N)c1C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is XWGMVBYXQUHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-8-9(2)19-14(12(8)6-17)18-7-10-3-4-11(15)5-13(10)16/h3-5,7H,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 684477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).