[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate

C17H16Cl2N2O5 — CID 19293785

IUPAC[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-23-13-7-6-11(14(24-2)15(13)25-3)17(22)26-21-16(20)10-5-4-9(18)8-12(10)19/h4-8H,1-3H3,(H2,20,21)
InChIKeyLXANOHITYULGRV-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.50
Rot. Bonds6

About [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate (PubChem CID 19293785) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
PubChem CID19293785
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-23-13-7-6-11(14(24-2)15(13)25-3)17(22)26-21-16(20)10-5-4-9(18)8-12(10)19/h4-8H,1-3H3,(H2,20,21)
InChIKeyLXANOHITYULGRV-UHFFFAOYSA-N
XLogP3.50
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781
[(Z)-[amino(phenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19290138
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2,4-dichlorobenzoate
CID 135443260
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19295965
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
[[amino-(2,4-dichlorophenyl)methylidene]amino] 4-nitrobenzoate
CID 2937034
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 19296166

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate?
The IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate (CID 19293785) is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)c(OC)c1OC.
What is the InChIKey of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate?
The InChIKey is LXANOHITYULGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-23-13-7-6-11(14(24-2)15(13)25-3)17(22)26-21-16(20)10-5-4-9(18)8-12(10)19/h4-8H,1-3H3,(H2,20,21).
What are the key properties of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate?
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate has a molecular weight of 399.23 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 19293785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).