2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol

C17H11BrClNO2 — CID 1091262

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H11BrClNO2/c18-12-3-1-11(2-4-12)17-8-6-14(22-17)10-20-15-9-13(19)5-7-16(15)21/h1-10,21H/b20-10+
InChIKeyUMUZCHDFHJAXPS-KEBDBYFISA-N
MW376.64 g/mol
LogP5.82
Rot. Bonds3

About 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol

2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol (PubChem CID 1091262) has the molecular formula C17H11BrClNO2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol
PubChem CID1091262
Molecular FormulaC17H11BrClNO2
Molecular Weight376.64 g/mol
Exact Mass374.97
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H11BrClNO2/c18-12-3-1-11(2-4-12)17-8-6-14(22-17)10-20-15-9-13(19)5-7-16(15)21/h1-10,21H/b20-10+
InChIKeyUMUZCHDFHJAXPS-KEBDBYFISA-N
XLogP5.82
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.64
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol 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-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol (CID 1091262) is 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol is Oc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol?
The InChIKey is UMUZCHDFHJAXPS-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11BrClNO2/c18-12-3-1-11(2-4-12)17-8-6-14(22-17)10-20-15-9-13(19)5-7-16(15)21/h1-10,21H/b20-10+.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol?
2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol has a molecular weight of 376.64 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-chlorophenol is sourced from PubChem (CID 1091262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).