4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate

C17H15F2N2O4- — CID 9012825

IUPAC4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
SMILESCOc1cc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(F)F
InChIInChI=1S/C17H16F2N2O4/c1-10(20-21-13-6-3-11(4-7-13)16(22)23)12-5-8-14(25-17(18)19)15(9-12)24-2/h3-9,17,21H,1-2H3,(H,22,23)/p-1/b20-10-
InChIKeyOYWJXOMOJQDWAF-JMIUGGIZSA-M
MW349.31 g/mol
LogP2.50
Rot. Bonds7

About 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate (PubChem CID 9012825) has the molecular formula C17H15F2N2O4- and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
PubChem CID9012825
Molecular FormulaC17H15F2N2O4-
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
SMILESCOc1cc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(F)F
InChIInChI=1S/C17H16F2N2O4/c1-10(20-21-13-6-3-11(4-7-13)16(22)23)12-5-8-14(25-17(18)19)15(9-12)24-2/h3-9,17,21H,1-2H3,(H,22,23)/p-1/b20-10-
InChIKeyOYWJXOMOJQDWAF-JMIUGGIZSA-M
XLogP2.50
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.50
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'}

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Related Compounds

4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-[(2Z)-2-[1-[3-[(diethylazaniumyl)methyl]-4-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012973
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026580
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357688
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate (CID 9012825) is 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate is COc1cc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(F)F.
What is the InChIKey of 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate?
The InChIKey is OYWJXOMOJQDWAF-JMIUGGIZSA-M. The full InChI is InChI=1S/C17H16F2N2O4/c1-10(20-21-13-6-3-11(4-7-13)16(22)23)12-5-8-14(25-17(18)19)15(9-12)24-2/h3-9,17,21H,1-2H3,(H,22,23)/p-1/b20-10-.
What are the key properties of 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate has a molecular weight of 349.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).