3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile

C15H14Cl2N2O — CID 78823733

IUPAC3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1ccco1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-14-5-1-6-15(17)13(14)11-19(8-3-7-18)10-12-4-2-9-20-12/h1-2,4-6,9H,3,8,10-11H2
InChIKeyFFEYJVGWZXTOAN-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.50
Rot. Bonds6

About 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile

3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile (PubChem CID 78823733) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
PubChem CID78823733
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1ccco1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-14-5-1-6-15(17)13(14)11-19(8-3-7-18)10-12-4-2-9-20-12/h1-2,4-6,9H,3,8,10-11H2
InChIKeyFFEYJVGWZXTOAN-UHFFFAOYSA-N
XLogP4.50
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
CID 78823683
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78793486
3-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 86911028
3-[[2-(3-chlorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 3854860
3-[furan-2-ylmethyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanenitrile
CID 86910998
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
ethyl 3-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1-benzofuran-2-carboxylate
CID 86910969
3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
CID 3808741

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile (CID 78823733) is 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile is N#CCCN(Cc1ccco1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile?
The InChIKey is FFEYJVGWZXTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-14-5-1-6-15(17)13(14)11-19(8-3-7-18)10-12-4-2-9-20-12/h1-2,4-6,9H,3,8,10-11H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile?
3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile has a molecular weight of 309.20 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 78823733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).