2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile

C19H13Cl2N3O — CID 19060025

IUPAC2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C19H13Cl2N3O/c20-17-6-3-7-18(21)16(17)12-24-23-11-14-8-9-19(25-14)15-5-2-1-4-13(15)10-22/h1-9,11,24H,12H2/b23-11+
InChIKeyBWEQAUAXQLZDAL-FOKLQQMPSA-N
MW370.24 g/mol
LogP5.25
Rot. Bonds5

About 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile

2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile (PubChem CID 19060025) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
PubChem CID19060025
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C19H13Cl2N3O/c20-17-6-3-7-18(21)16(17)12-24-23-11-14-8-9-19(25-14)15-5-2-1-4-13(15)10-22/h1-9,11,24H,12H2/b23-11+
InChIKeyBWEQAUAXQLZDAL-FOKLQQMPSA-N
XLogP5.25
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
CID 126042512
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
2-[5-[(E)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
CID 124666166
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
ethyl 3-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzoate
CID 19060019
2-chloro-6-(5-formylfuran-2-yl)benzonitrile
CID 169331860
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886197

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile (CID 19060025) is 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile?
The InChIKey is BWEQAUAXQLZDAL-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c20-17-6-3-7-18(21)16(17)12-24-23-11-14-8-9-19(25-14)15-5-2-1-4-13(15)10-22/h1-9,11,24H,12H2/b23-11+.
What are the key properties of 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile?
2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile has a molecular weight of 370.24 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 19060025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).