N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine

C20H12Cl2N4 — CID 87327980

IUPACN'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine
SMILESClc1ccc(N=C=Nc2ccc(N=C=Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H12Cl2N4/c21-15-1-5-17(6-2-15)23-13-25-19-9-11-20(12-10-19)26-14-24-18-7-3-16(22)4-8-18/h1-12H
InChIKeyAXTQCASSMBJFIL-UHFFFAOYSA-N
MW379.25 g/mol
LogP7.27
Rot. Bonds4

About N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine

N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine (PubChem CID 87327980) has the molecular formula C20H12Cl2N4 and a molecular weight of 379.25 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine
PubChem CID87327980
Molecular FormulaC20H12Cl2N4
Molecular Weight379.25 g/mol
Exact Mass378.04
IUPAC NameN'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine
SMILESClc1ccc(N=C=Nc2ccc(N=C=Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H12Cl2N4/c21-15-1-5-17(6-2-15)23-13-25-19-9-11-20(12-10-19)26-14-24-18-7-3-16(22)4-8-18/h1-12H
InChIKeyAXTQCASSMBJFIL-UHFFFAOYSA-N
XLogP7.27
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-isocyanatobenzene;isocyanic acid
CID 174743412
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
azane;1,4-dichlorobenzene
CID 69330361
N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
N,N'-bis(4-chloro-2-nitrophenyl)methanediimine
CID 19830143
1,4-dichlorobenzene;formonitrile
CID 174444870
1,4-dichlorobenzene;trichloroalumane
CID 174756083
(4-chlorophenyl)-methoxydiazene
CID 131845270
(4-chlorophenyl)-ethyldiazene
CID 54169183
CID 167598671
CID 167598671
N'-(4-chlorophenyl)-N-cyano-2-methylpropanimidamide
CID 58855871
2-bromopropan-2-yl-(4-chlorophenyl)diazene
CID 13498127

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine?
The IUPAC name of N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine (CID 87327980) is N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine?
The canonical SMILES for N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine is Clc1ccc(N=C=Nc2ccc(N=C=Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine?
The InChIKey is AXTQCASSMBJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4/c21-15-1-5-17(6-2-15)23-13-25-19-9-11-20(12-10-19)26-14-24-18-7-3-16(22)4-8-18/h1-12H.
What are the key properties of N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine?
N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine has a molecular weight of 379.25 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine is sourced from PubChem (CID 87327980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).