1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine

C20H15ClN2O4 — CID 126120470

IUPAC1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-26-19-4-2-3-5-20(19)27-16-9-7-15(8-10-16)22-13-14-6-11-17(21)18(12-14)23(24)25/h2-13H,1H3/b22-13+
InChIKeyJCBPJEVGOSWCOC-LPYMAVHISA-N
MW382.80 g/mol
LogP5.80
Rot. Bonds6

About 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine

1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine (PubChem CID 126120470) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
PubChem CID126120470
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-26-19-4-2-3-5-20(19)27-16-9-7-15(8-10-16)22-13-14-6-11-17(21)18(12-14)23(24)25/h2-13H,1H3/b22-13+
InChIKeyJCBPJEVGOSWCOC-LPYMAVHISA-N
XLogP5.80
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 55.80
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-(3,4-dimethoxyphenyl)methanimine
CID 758987
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-1-(4-chloro-3-nitrophenyl)methanimine
CID 23828638
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
[4-[[4-[[4-(4-methoxybenzoyl)oxy-3-nitrophenyl]methylideneamino]phenyl]iminomethyl]-2-nitrophenyl] 4-methoxybenzoate
CID 5036166
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
CID 913562
N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
1-[4-(2,4-dinitrophenoxy)phenyl]-N-(3,4,5-trimethoxyphenyl)methanimine
CID 35269252

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine (CID 126120470) is 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine is COc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The InChIKey is JCBPJEVGOSWCOC-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-26-19-4-2-3-5-20(19)27-16-9-7-15(8-10-16)22-13-14-6-11-17(21)18(12-14)23(24)25/h2-13H,1H3/b22-13+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine has a molecular weight of 382.80 g/mol, XLogP of 5.80, 6 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-[4-(2-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 126120470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).