(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine

C14H10ClN3O5 — CID 23584012

IUPAC(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
SMILESC/C(=N/Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O5/c1-9(10-2-4-11(15)5-3-10)16-23-14-7-12(17(19)20)6-13(8-14)18(21)22/h2-8H,1H3/b16-9-
InChIKeyLKEJHKZCXWTHAA-SXGWCWSVSA-N
MW335.70 g/mol
LogP3.96
Rot. Bonds5

About (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine

(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine (PubChem CID 23584012) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
PubChem CID23584012
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC Name(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
SMILESC/C(=N/Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O5/c1-9(10-2-4-11(15)5-3-10)16-23-14-7-12(17(19)20)6-13(8-14)18(21)22/h2-8H,1H3/b16-9-
InChIKeyLKEJHKZCXWTHAA-SXGWCWSVSA-N
XLogP3.96
TPSA107.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-azido-5-nitrophenoxy)-1-(4-methylphenyl)ethanimine
CID 169325797
1-(4-methylphenyl)-N-(3-nitro-5-pyrrolidin-1-ylphenoxy)ethanimine
CID 168514294
2-[[3-[1-(4-methylphenyl)ethylideneamino]oxy-5-nitrophenyl]hydrazinylidene]propanedinitrile
CID 169340202
N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine
CID 168526988
1-chloro-4-nitrobenzene;ethane
CID 90737802
N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135874286
(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
CID 15311369
1-chloro-3-[3-[1-(2-methoxyphenyl)ethylideneamino]oxy-5-nitroanilino]propan-2-ol
CID 168637591
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine (CID 23584012) is (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine is C/C(=N/Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine?
The InChIKey is LKEJHKZCXWTHAA-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c1-9(10-2-4-11(15)5-3-10)16-23-14-7-12(17(19)20)6-13(8-14)18(21)22/h2-8H,1H3/b16-9-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine?
(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine has a molecular weight of 335.70 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine is sourced from PubChem (CID 23584012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).