N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine

C15H13ClN2O3 — CID 767231

IUPACN-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-2-21-13-6-3-11(4-7-13)10-17-12-5-8-14(16)15(9-12)18(19)20/h3-10H,2H2,1H3/b17-10+
InChIKeyIZRVQFOOQDDRKB-LICLKQGHSA-N
MW304.73 g/mol
LogP4.40
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine

N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine (PubChem CID 767231) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
PubChem CID767231
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-2-21-13-6-3-11(4-7-13)10-17-12-5-8-14(16)15(9-12)18(19)20/h3-10H,2H2,1H3/b17-10+
InChIKeyIZRVQFOOQDDRKB-LICLKQGHSA-N
XLogP4.40
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.40
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

1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
CID 5136816
N-(3,5-dichlorophenyl)-1-(4-ethoxyphenyl)methanimine
CID 693665
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
4-chloro-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7983562
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
2-[(4-ethoxyphenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 3590766
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine (CID 767231) is N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine is CCOc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine?
The InChIKey is IZRVQFOOQDDRKB-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-2-21-13-6-3-11(4-7-13)10-17-12-5-8-14(16)15(9-12)18(19)20/h3-10H,2H2,1H3/b17-10+.
What are the key properties of N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine?
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine has a molecular weight of 304.73 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 767231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).