[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate

C14H8Cl2N2O4 — CID 6025983

IUPAC[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
SMILESO=C(O/N=C\c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8Cl2N2O4/c15-11-4-1-10(13(16)7-11)8-17-22-14(19)9-2-5-12(6-3-9)18(20)21/h1-8H/b17-8-
InChIKeyLXILGMXRNYBFQK-IUXPMGMMSA-N
MW339.13 g/mol
LogP4.09
Rot. Bonds4

About [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate

[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate (PubChem CID 6025983) has the molecular formula C14H8Cl2N2O4 and a molecular weight of 339.13 g/mol. Its IUPAC name is [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate.

Molecular Properties

Compound Name[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
PubChem CID6025983
Molecular FormulaC14H8Cl2N2O4
Molecular Weight339.13 g/mol
Exact Mass337.99
IUPAC Name[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
SMILESO=C(O/N=C\c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8Cl2N2O4/c15-11-4-1-10(13(16)7-11)8-17-22-14(19)9-2-5-12(6-3-9)18(20)21/h1-8H/b17-8-
InChIKeyLXILGMXRNYBFQK-IUXPMGMMSA-N
XLogP4.09
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 54.09
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(2,4-dichlorophenyl)methylidene]amino] 4-nitrobenzoate
CID 2937034
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
[(E)-(3-bromophenyl)methylideneamino] 4-nitrobenzoate
CID 11792048
N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
CID 633064
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
(2,4-dichloro-6-formylphenyl) 4-nitrobenzoate
CID 4924587
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 19297987
[4-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
[2-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] 4-nitrobenzoate
CID 126233402
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate?
The IUPAC name of [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate (CID 6025983) is [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate.
What is the SMILES notation for [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate?
The canonical SMILES for [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate is O=C(O/N=C\c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate?
The InChIKey is LXILGMXRNYBFQK-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H8Cl2N2O4/c15-11-4-1-10(13(16)7-11)8-17-22-14(19)9-2-5-12(6-3-9)18(20)21/h1-8H/b17-8-.
What are the key properties of [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate?
[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate has a molecular weight of 339.13 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate is sourced from PubChem (CID 6025983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).