1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine

C13H7Cl3N2O2 — CID 757863

IUPAC1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O2/c14-10-4-2-9(6-12(10)16)17-7-8-1-3-11(15)13(5-8)18(19)20/h1-7H/b17-7+
InChIKeyACFGLOAUQYKITF-REZTVBANSA-N
MW329.57 g/mol
LogP5.31
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine

1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine (PubChem CID 757863) has the molecular formula C13H7Cl3N2O2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
PubChem CID757863
Molecular FormulaC13H7Cl3N2O2
Molecular Weight329.57 g/mol
Exact Mass327.96
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O2/c14-10-4-2-9(6-12(10)16)17-7-8-1-3-11(15)13(5-8)18(19)20/h1-7H/b17-7+
InChIKeyACFGLOAUQYKITF-REZTVBANSA-N
XLogP5.31
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.31
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-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
1-chloro-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-nitrobenzene
CID 125465323
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
CID 913562
1-(4-chloro-3-nitrophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 3998271
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine (CID 757863) is 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine is O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is ACFGLOAUQYKITF-REZTVBANSA-N. The full InChI is InChI=1S/C13H7Cl3N2O2/c14-10-4-2-9(6-12(10)16)17-7-8-1-3-11(15)13(5-8)18(19)20/h1-7H/b17-7+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine?
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine has a molecular weight of 329.57 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 757863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).