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

C15H13ClN2O4 — CID 758987

IUPAC1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C15H13ClN2O4/c1-21-14-6-4-11(8-15(14)22-2)17-9-10-3-5-12(16)13(7-10)18(19)20/h3-9H,1-2H3/b17-9+
InChIKeyLSIJFJLQOMECGI-RQZCQDPDSA-N
MW320.73 g/mol
LogP4.02
Rot. Bonds5

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

1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine (PubChem CID 758987) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
PubChem CID758987
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C15H13ClN2O4/c1-21-14-6-4-11(8-15(14)22-2)17-9-10-3-5-12(16)13(7-10)18(19)20/h3-9H,1-2H3/b17-9+
InChIKeyLSIJFJLQOMECGI-RQZCQDPDSA-N
XLogP4.02
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-1-(4-chloro-3-nitrophenyl)methanimine
CID 23828638
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
[4-[[4-[[4-(4-methoxybenzoyl)oxy-3-nitrophenyl]methylideneamino]phenyl]iminomethyl]-2-nitrophenyl] 4-methoxybenzoate
CID 5036166

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine (CID 758987) is 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine is COc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine?
The InChIKey is LSIJFJLQOMECGI-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-21-14-6-4-11(8-15(14)22-2)17-9-10-3-5-12(16)13(7-10)18(19)20/h3-9H,1-2H3/b17-9+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine?
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine has a molecular weight of 320.73 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine is sourced from PubChem (CID 758987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).