2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile

C18H10BrN3O — CID 1109274

IUPAC2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C18H10BrN3O/c19-12-5-3-11(4-6-12)13-8-14(17-2-1-7-23-17)16(10-21)18(22)15(13)9-20/h1-8H,22H2
InChIKeyFHIFTKVHQCPBGO-UHFFFAOYSA-N
MW364.20 g/mol
LogP4.70
Rot. Bonds2

About 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile

2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 1109274) has the molecular formula C18H10BrN3O and a molecular weight of 364.20 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile
PubChem CID1109274
Molecular FormulaC18H10BrN3O
Molecular Weight364.20 g/mol
Exact Mass363.00
IUPAC Name2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C18H10BrN3O/c19-12-5-3-11(4-6-12)13-8-14(17-2-1-7-23-17)16(10-21)18(22)15(13)9-20/h1-8H,22H2
InChIKeyFHIFTKVHQCPBGO-UHFFFAOYSA-N
XLogP4.70
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile (CID 1109274) is 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)c(C#N)c1N.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is FHIFTKVHQCPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrN3O/c19-12-5-3-11(4-6-12)13-8-14(17-2-1-7-23-17)16(10-21)18(22)15(13)9-20/h1-8H,22H2.
What are the key properties of 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile?
2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 364.20 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-6-(furan-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 1109274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).