ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate

C19H17ClN4O4 — CID 5456548

IUPACethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=N\Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H17ClN4O4/c1-3-28-19(26)16(11-21)24-23-15-9-13(20)14(10-17(15)27-2)22-18(25)12-7-5-4-6-8-12/h4-10,23H,3H2,1-2H3,(H,22,25)/b24-16-
InChIKeyBFDFFPYNHPWYSE-JLPGSUDCSA-N
MW400.82 g/mol
LogP3.46
Rot. Bonds7

About ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate

ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate (PubChem CID 5456548) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate
PubChem CID5456548
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Nameethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=N\Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H17ClN4O4/c1-3-28-19(26)16(11-21)24-23-15-9-13(20)14(10-17(15)27-2)22-18(25)12-7-5-4-6-8-12/h4-10,23H,3H2,1-2H3,(H,22,25)/b24-16-
InChIKeyBFDFFPYNHPWYSE-JLPGSUDCSA-N
XLogP3.46
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyano-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetate
CID 23275272
ethyl (2E)-2-cyano-2-[(2-methoxy-5-methylphenyl)hydrazinylidene]acetate
CID 6895831
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl 2-cyano-2-[[3-(phenylcarbamoyl)phenyl]hydrazinylidene]acetate
CID 4597712
ethyl 2-[(4-benzamido-2-chloro-5-methoxyphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135548084
ethyl (2E)-2-cyano-2-[(2,5-dichloro-4-nitrophenyl)hydrazinylidene]acetate
CID 5333581
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate?
The IUPAC name of ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate (CID 5456548) is ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate.
What is the SMILES notation for ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate?
The canonical SMILES for ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate is CCOC(=O)/C(C#N)=N\Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate?
The InChIKey is BFDFFPYNHPWYSE-JLPGSUDCSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-3-28-19(26)16(11-21)24-23-15-9-13(20)14(10-17(15)27-2)22-18(25)12-7-5-4-6-8-12/h4-10,23H,3H2,1-2H3,(H,22,25)/b24-16-.
What are the key properties of ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate?
ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate has a molecular weight of 400.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(4-benzamido-5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate is sourced from PubChem (CID 5456548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).