N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine

C20H12Br2Cl2N2 — CID 21239979

IUPACN-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
SMILESClc1cc(/N=C/c2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)ccc1Br
InChIInChI=1S/C20H12Br2Cl2N2/c21-17-7-5-15(9-19(17)23)25-11-13-1-2-14(4-3-13)12-26-16-6-8-18(22)20(24)10-16/h1-12H/b25-11+,26-12+
InChIKeyMEXSFDJIYFSNDN-KOZSXFMUSA-N
MW511.04 g/mol
LogP8.02
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine

N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine (PubChem CID 21239979) has the molecular formula C20H12Br2Cl2N2 and a molecular weight of 511.04 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
PubChem CID21239979
Molecular FormulaC20H12Br2Cl2N2
Molecular Weight511.04 g/mol
Exact Mass507.87
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
SMILESClc1cc(/N=C/c2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)ccc1Br
InChIInChI=1S/C20H12Br2Cl2N2/c21-17-7-5-15(9-19(17)23)25-11-13-1-2-14(4-3-13)12-26-16-6-8-18(22)20(24)10-16/h1-12H/b25-11+,26-12+
InChIKeyMEXSFDJIYFSNDN-KOZSXFMUSA-N
XLogP8.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.04
LogP ≤ 58.02
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-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine (CID 21239979) is N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine is Clc1cc(/N=C/c2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine?
The InChIKey is MEXSFDJIYFSNDN-KOZSXFMUSA-N. The full InChI is InChI=1S/C20H12Br2Cl2N2/c21-17-7-5-15(9-19(17)23)25-11-13-1-2-14(4-3-13)12-26-16-6-8-18(22)20(24)10-16/h1-12H/b25-11+,26-12+.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine?
N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine has a molecular weight of 511.04 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 21239979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).