N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

C17H11BrFNO — CID 126016478

IUPACN-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C17H11BrFNO/c18-13-4-6-15(7-5-13)20-11-16-8-9-17(21-16)12-2-1-3-14(19)10-12/h1-11H/b20-11+
InChIKeyCHYRHZNDEOAWKZ-RGVLZGJSSA-N
MW344.18 g/mol
LogP5.60
Rot. Bonds3

About N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (PubChem CID 126016478) has the molecular formula C17H11BrFNO and a molecular weight of 344.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
PubChem CID126016478
Molecular FormulaC17H11BrFNO
Molecular Weight344.18 g/mol
Exact Mass343.00
IUPAC NameN-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C17H11BrFNO/c18-13-4-6-15(7-5-13)20-11-16-8-9-17(21-16)12-2-1-3-14(19)10-12/h1-11H/b20-11+
InChIKeyCHYRHZNDEOAWKZ-RGVLZGJSSA-N
XLogP5.60
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.18
LogP ≤ 55.60
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 N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (CID 126016478) is N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is Fc1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1.
What is the InChIKey of N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The InChIKey is CHYRHZNDEOAWKZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H11BrFNO/c18-13-4-6-15(7-5-13)20-11-16-8-9-17(21-16)12-2-1-3-14(19)10-12/h1-11H/b20-11+.
What are the key properties of N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine has a molecular weight of 344.18 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 126016478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).