N,N'-bis(4-chloro-2-nitrophenyl)methanediimine

C13H6Cl2N4O4 — CID 19830143

IUPACN,N'-bis(4-chloro-2-nitrophenyl)methanediimine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N=C=Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H6Cl2N4O4/c14-8-1-3-10(12(5-8)18(20)21)16-7-17-11-4-2-9(15)6-13(11)19(22)23/h1-6H
InChIKeyAAZVEAGCCJVJHO-UHFFFAOYSA-N
MW353.12 g/mol
LogP4.95
Rot. Bonds4

About N,N'-bis(4-chloro-2-nitrophenyl)methanediimine

N,N'-bis(4-chloro-2-nitrophenyl)methanediimine (PubChem CID 19830143) has the molecular formula C13H6Cl2N4O4 and a molecular weight of 353.12 g/mol. Its IUPAC name is N,N'-bis(4-chloro-2-nitrophenyl)methanediimine.

Molecular Properties

Compound NameN,N'-bis(4-chloro-2-nitrophenyl)methanediimine
PubChem CID19830143
Molecular FormulaC13H6Cl2N4O4
Molecular Weight353.12 g/mol
Exact Mass351.98
IUPAC NameN,N'-bis(4-chloro-2-nitrophenyl)methanediimine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N=C=Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H6Cl2N4O4/c14-8-1-3-10(12(5-8)18(20)21)16-7-17-11-4-2-9(15)6-13(11)19(22)23/h1-6H
InChIKeyAAZVEAGCCJVJHO-UHFFFAOYSA-N
XLogP4.95
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-isothiocyanato-2-nitrobenzene
CID 13266752
4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135554972
CID 58697900
CID 58697900
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-2-nitroaniline
CID 6979
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-chloro-2,4-diisocyanatobenzene;1,4-diisocyanato-2-nitrobenzene;2,4-diisocyanato-1-nitrobenzene
CID 161140943
CID 58762875
CID 58762875
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
4-chloro-2-nitro-1-[(E)-prop-1-enyl]benzene
CID 57056957
3-(4-chloro-2-nitrophenyl)prop-2-yn-1-ol
CID 169485317
2-(4-chloro-2-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 166610468

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chloro-2-nitrophenyl)methanediimine?
The IUPAC name of N,N'-bis(4-chloro-2-nitrophenyl)methanediimine (CID 19830143) is N,N'-bis(4-chloro-2-nitrophenyl)methanediimine.
What is the SMILES notation for N,N'-bis(4-chloro-2-nitrophenyl)methanediimine?
The canonical SMILES for N,N'-bis(4-chloro-2-nitrophenyl)methanediimine is O=[N+]([O-])c1cc(Cl)ccc1N=C=Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N,N'-bis(4-chloro-2-nitrophenyl)methanediimine?
The InChIKey is AAZVEAGCCJVJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N4O4/c14-8-1-3-10(12(5-8)18(20)21)16-7-17-11-4-2-9(15)6-13(11)19(22)23/h1-6H.
What are the key properties of N,N'-bis(4-chloro-2-nitrophenyl)methanediimine?
N,N'-bis(4-chloro-2-nitrophenyl)methanediimine has a molecular weight of 353.12 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chloro-2-nitrophenyl)methanediimine is sourced from PubChem (CID 19830143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).