1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine

C14H10Cl2N2O3 — CID 3520188

IUPAC1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-21-14-5-4-11(18(19)20)7-13(14)17-8-9-2-3-10(15)6-12(9)16/h2-8H,1H3/b17-8+
InChIKeyQCHLPKLSUYFIKJ-CAOOACKPSA-N
MW325.15 g/mol
LogP4.66
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine

1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine (PubChem CID 3520188) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
PubChem CID3520188
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-21-14-5-4-11(18(19)20)7-13(14)17-8-9-2-3-10(15)6-12(9)16/h2-8H,1H3/b17-8+
InChIKeyQCHLPKLSUYFIKJ-CAOOACKPSA-N
XLogP4.66
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
CID 633064
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135599259
(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135889842
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
CID 6025983
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 3899999

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine (CID 3520188) is 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine is COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine?
The InChIKey is QCHLPKLSUYFIKJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-21-14-5-4-11(18(19)20)7-13(14)17-8-9-2-3-10(15)6-12(9)16/h2-8H,1H3/b17-8+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine?
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine has a molecular weight of 325.15 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine is sourced from PubChem (CID 3520188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).