[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate

C19H13FN2O3S — CID 3639611

IUPAC[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C19H13FN2O3S/c20-16-5-2-1-4-15(16)19(24)25-14-9-7-13(8-10-14)12-21-22-18(23)17-6-3-11-26-17/h1-12H,(H,22,23)
InChIKeyRLKWVGLAEOGCPK-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.87
Rot. Bonds5

About [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate

[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate (PubChem CID 3639611) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
PubChem CID3639611
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC Name[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C19H13FN2O3S/c20-16-5-2-1-4-15(16)19(24)25-14-9-7-13(8-10-14)12-21-22-18(23)17-6-3-11-26-17/h1-12H,(H,22,23)
InChIKeyRLKWVGLAEOGCPK-UHFFFAOYSA-N
XLogP3.87
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.87
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-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 5083790
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 4135348
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3766798
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 3344650
[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6083944
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013

Frequently Asked Questions

What is the IUPAC name of [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate (CID 3639611) is [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1cccs1.
What is the InChIKey of [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The InChIKey is RLKWVGLAEOGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c20-16-5-2-1-4-15(16)19(24)25-14-9-7-13(8-10-14)12-21-22-18(23)17-6-3-11-26-17/h1-12H,(H,22,23).
What are the key properties of [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate has a molecular weight of 368.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 3639611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).