4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate

C17H13ClN3O4- — CID 8973943

IUPAC4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1cc(/C=N\Nc2cc(C(=O)[O-])ccc2Cl)ccc1OCC#N
InChIInChI=1S/C17H14ClN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-14-9-12(17(22)23)3-4-13(14)18/h2-5,8-10,21H,7H2,1H3,(H,22,23)/p-1/b20-10-
InChIKeyNXDZAWHEAOJQAJ-JMIUGGIZSA-M
MW358.76 g/mol
LogP2.06
Rot. Bonds7

About 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate

4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate (PubChem CID 8973943) has the molecular formula C17H13ClN3O4- and a molecular weight of 358.76 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate
PubChem CID8973943
Molecular FormulaC17H13ClN3O4-
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC Name4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1cc(/C=N\Nc2cc(C(=O)[O-])ccc2Cl)ccc1OCC#N
InChIInChI=1S/C17H14ClN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-14-9-12(17(22)23)3-4-13(14)18/h2-5,8-10,21H,7H2,1H3,(H,22,23)/p-1/b20-10-
InChIKeyNXDZAWHEAOJQAJ-JMIUGGIZSA-M
XLogP2.06
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[(2Z)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylidene]hydrazinyl]benzoate
CID 8974239
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9076523
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 6153602
2-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9013827
4-[[4-[(E)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 19656131
3-bromo-N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 3886581
4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9012927
2-cyano-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 2306447
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoacetamide
CID 5350121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate (CID 8973943) is 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate is COc1cc(/C=N\Nc2cc(C(=O)[O-])ccc2Cl)ccc1OCC#N.
What is the InChIKey of 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is NXDZAWHEAOJQAJ-JMIUGGIZSA-M. The full InChI is InChI=1S/C17H14ClN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-14-9-12(17(22)23)3-4-13(14)18/h2-5,8-10,21H,7H2,1H3,(H,22,23)/p-1/b20-10-.
What are the key properties of 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate?
4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 358.76 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 8973943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).