1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine

C14H10Cl2N2O2 — CID 4266923

IUPAC1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O2/c1-9-7-11(18(19)20)5-6-13(9)17-8-10-3-2-4-12(15)14(10)16/h2-8H,1H3/b17-8+
InChIKeyIEPMVLYZKVPPRC-CAOOACKPSA-N
MW309.15 g/mol
LogP4.96
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine

1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine (PubChem CID 4266923) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
PubChem CID4266923
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O2/c1-9-7-11(18(19)20)5-6-13(9)17-8-10-3-2-4-12(15)14(10)16/h2-8H,1H3/b17-8+
InChIKeyIEPMVLYZKVPPRC-CAOOACKPSA-N
XLogP4.96
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.96
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-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(2-chloro-4-methylphenyl)iminomethyl]-4-nitrophenolate
CID 7605931
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 126106659
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262
1-[3,5-dichloro-4-(2,4-dinitrophenoxy)phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126218076

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine (CID 4266923) is 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine is Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The InChIKey is IEPMVLYZKVPPRC-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-9-7-11(18(19)20)5-6-13(9)17-8-10-3-2-4-12(15)14(10)16/h2-8H,1H3/b17-8+.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine has a molecular weight of 309.15 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine is sourced from PubChem (CID 4266923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).