(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile

C19H10Cl2INO — CID 126374267

IUPAC(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(I)cc1
InChIInChI=1S/C19H10Cl2INO/c20-17-7-3-13(10-18(17)21)19-8-6-16(24-19)9-14(11-23)12-1-4-15(22)5-2-12/h1-10H/b14-9-
InChIKeySFQSYWIZJGUALB-ZROIWOOFSA-N
MW466.11 g/mol
LogP6.92
Rot. Bonds3

About (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile

(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile (PubChem CID 126374267) has the molecular formula C19H10Cl2INO and a molecular weight of 466.11 g/mol. Its IUPAC name is (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
PubChem CID126374267
Molecular FormulaC19H10Cl2INO
Molecular Weight466.11 g/mol
Exact Mass464.92
IUPAC Name(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(I)cc1
InChIInChI=1S/C19H10Cl2INO/c20-17-7-3-13(10-18(17)21)19-8-6-16(24-19)9-14(11-23)12-1-4-15(22)5-2-12/h1-10H/b14-9-
InChIKeySFQSYWIZJGUALB-ZROIWOOFSA-N
XLogP6.92
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[5-[(E)-2-cyano-2-(4-iodophenyl)ethenyl]furan-2-yl]benzoic acid
CID 126377500
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile;hydrate
CID 51057512
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800300
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 2964036
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 9212327
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 18231308
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 8828437
3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
(E)-2-(1,3-benzodioxol-5-yl)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enenitrile
CID 126365380
(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 50886032

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile (CID 126374267) is (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(I)cc1.
What is the InChIKey of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile?
The InChIKey is SFQSYWIZJGUALB-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H10Cl2INO/c20-17-7-3-13(10-18(17)21)19-8-6-16(24-19)9-14(11-23)12-1-4-15(22)5-2-12/h1-10H/b14-9-.
What are the key properties of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile?
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile has a molecular weight of 466.11 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile is sourced from PubChem (CID 126374267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).