4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate

C18H14ClN2O4- — CID 9012927

IUPAC4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESC#CCOc1c(Cl)cc(/C=N\Nc2ccc(C(=O)[O-])cc2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-3-8-25-17-15(19)9-12(10-16(17)24-2)11-20-21-14-6-4-13(5-7-14)18(22)23/h1,4-7,9-11,21H,8H2,2H3,(H,22,23)/p-1/b20-11-
InChIKeyHSHAOJUJIBDJNK-JAIQZWGSSA-M
MW357.77 g/mol
LogP2.17
Rot. Bonds7

About 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 9012927) has the molecular formula C18H14ClN2O4- and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID9012927
Molecular FormulaC18H14ClN2O4-
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESC#CCOc1c(Cl)cc(/C=N\Nc2ccc(C(=O)[O-])cc2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-3-8-25-17-15(19)9-12(10-16(17)24-2)11-20-21-14-6-4-13(5-7-14)18(22)23/h1,4-7,9-11,21H,8H2,2H3,(H,22,23)/p-1/b20-11-
InChIKeyHSHAOJUJIBDJNK-JAIQZWGSSA-M
XLogP2.17
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)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-[2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 171987175
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
N'-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3430902
4-[(2Z)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9013303
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
2-bromo-N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 17245447
N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 2451408
2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7323628
N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126309772
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
N'-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide
CID 3670628
2-chloro-N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4545658

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate (CID 9012927) is 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate is C#CCOc1c(Cl)cc(/C=N\Nc2ccc(C(=O)[O-])cc2)cc1OC.
What is the InChIKey of 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is HSHAOJUJIBDJNK-JAIQZWGSSA-M. The full InChI is InChI=1S/C18H15ClN2O4/c1-3-8-25-17-15(19)9-12(10-16(17)24-2)11-20-21-14-6-4-13(5-7-14)18(22)23/h1,4-7,9-11,21H,8H2,2H3,(H,22,23)/p-1/b20-11-.
What are the key properties of 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 357.77 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).