1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine

C17H12BrNO — CID 50885266

IUPAC1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine
SMILESBrc1ccccc1-c1ccc(/C=N/c2ccccc2)o1
InChIInChI=1S/C17H12BrNO/c18-16-9-5-4-8-15(16)17-11-10-14(20-17)12-19-13-6-2-1-3-7-13/h1-12H/b19-12+
InChIKeyCWHIAKPYMSRTSK-XDHOZWIPSA-N
MW326.19 g/mol
LogP5.46
Rot. Bonds3

About 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine

1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine (PubChem CID 50885266) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine
PubChem CID50885266
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine
SMILESBrc1ccccc1-c1ccc(/C=N/c2ccccc2)o1
InChIInChI=1S/C17H12BrNO/c18-16-9-5-4-8-15(16)17-11-10-14(20-17)12-19-13-6-2-1-3-7-13/h1-12H/b19-12+
InChIKeyCWHIAKPYMSRTSK-XDHOZWIPSA-N
XLogP5.46
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.19
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine?
The IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine (CID 50885266) is 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine is Brc1ccccc1-c1ccc(/C=N/c2ccccc2)o1.
What is the InChIKey of 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine?
The InChIKey is CWHIAKPYMSRTSK-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H12BrNO/c18-16-9-5-4-8-15(16)17-11-10-14(20-17)12-19-13-6-2-1-3-7-13/h1-12H/b19-12+.
What are the key properties of 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine?
1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine has a molecular weight of 326.19 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine is sourced from PubChem (CID 50885266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).