[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

C19H13ClN2O4 — CID 6155557

IUPAC[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O4/c20-15-7-5-14(6-8-15)18(23)22-21-12-13-3-9-16(10-4-13)26-19(24)17-2-1-11-25-17/h1-12H,(H,22,23)/b21-12-
InChIKeyUNJFNYFDXAQKAA-MTJSOVHGSA-N
MW368.78 g/mol
LogP3.92
Rot. Bonds5

About [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 6155557) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
PubChem CID6155557
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O4/c20-15-7-5-14(6-8-15)18(23)22-21-12-13-3-9-16(10-4-13)26-19(24)17-2-1-11-25-17/h1-12H,(H,22,23)/b21-12-
InChIKeyUNJFNYFDXAQKAA-MTJSOVHGSA-N
XLogP3.92
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 40963720
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
[4-[(carbamoylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 869858
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4675740
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (CID 6155557) is [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is O=C(N/N=C\c1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The InChIKey is UNJFNYFDXAQKAA-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-15-7-5-14(6-8-15)18(23)22-21-12-13-3-9-16(10-4-13)26-19(24)17-2-1-11-25-17/h1-12H,(H,22,23)/b21-12-.
What are the key properties of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 368.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 6155557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).