1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine

C13H8Cl2N2O2 — CID 792217

IUPAC1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-1-3-11(4-2-10)16-8-9-7-12(17(18)19)5-6-13(9)15/h1-8H/b16-8+
InChIKeyHAPTVQCSVZNXJI-LZYBPNLTSA-N
MW295.13 g/mol
LogP4.65
Rot. Bonds3

About 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine

1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine (PubChem CID 792217) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
PubChem CID792217
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-1-3-11(4-2-10)16-8-9-7-12(17(18)19)5-6-13(9)15/h1-8H/b16-8+
InChIKeyHAPTVQCSVZNXJI-LZYBPNLTSA-N
XLogP4.65
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
propyl 4-[(2-chloro-5-nitrophenyl)methylideneamino]benzoate
CID 4504807
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
2-[(4-bromo-3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 2185227
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine (CID 792217) is 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine is O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine?
The InChIKey is HAPTVQCSVZNXJI-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-10-1-3-11(4-2-10)16-8-9-7-12(17(18)19)5-6-13(9)15/h1-8H/b16-8+.
What are the key properties of 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine?
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine has a molecular weight of 295.13 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine is sourced from PubChem (CID 792217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).