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

C18H18Cl2N2O4 — CID 19292090

IUPAC[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C18H18Cl2N2O4/c1-3-24-15-8-5-11(9-16(15)25-4-2)18(23)26-22-17(21)13-7-6-12(19)10-14(13)20/h5-10H,3-4H2,1-2H3,(H2,21,22)
InChIKeyYLVULWXGMHJMDX-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.27
Rot. Bonds7

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

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate (PubChem CID 19292090) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
PubChem CID19292090
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C18H18Cl2N2O4/c1-3-24-15-8-5-11(9-16(15)25-4-2)18(23)26-22-17(21)13-7-6-12(19)10-14(13)20/h5-10H,3-4H2,1-2H3,(H2,21,22)
InChIKeyYLVULWXGMHJMDX-UHFFFAOYSA-N
XLogP4.27
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dichlorophenyl)methylidene]amino] 4-methyl-3-nitrobenzoate
CID 19292107
[[amino-(2,4-dichlorophenyl)methylidene]amino] 4-nitrobenzoate
CID 2937034
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19293785
[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
CID 73398027
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-[(4-bromophenoxy)methyl]benzoate
CID 19292124
[4-[(carbamoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 4156019
ethyl 3,4-diethoxybenzoate
CID 586407
4-chloro-2-ethoxybenzamide
CID 126998915
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903793
3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
CID 17073868

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate?
The IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate (CID 19292090) is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate.
What is the SMILES notation for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate?
The canonical SMILES for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)cc1OCC.
What is the InChIKey of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate?
The InChIKey is YLVULWXGMHJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-3-24-15-8-5-11(9-16(15)25-4-2)18(23)26-22-17(21)13-7-6-12(19)10-14(13)20/h5-10H,3-4H2,1-2H3,(H2,21,22).
What are the key properties of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate?
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate has a molecular weight of 397.26 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate is sourced from PubChem (CID 19292090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).