4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate

C15H10FN2O3- — CID 2403681

IUPAC4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(C=NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1
InChIKeyOBZOHUUBODHUOT-UHFFFAOYSA-M
MW285.25 g/mol
LogP0.95
Rot. Bonds4

About 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate

4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate (PubChem CID 2403681) has the molecular formula C15H10FN2O3- and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
PubChem CID2403681
Molecular FormulaC15H10FN2O3-
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(C=NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1
InChIKeyOBZOHUUBODHUOT-UHFFFAOYSA-M
XLogP0.95
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 4178968
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate (CID 2403681) is 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate is O=C([O-])c1ccc(C=NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate?
The InChIKey is OBZOHUUBODHUOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1.
What are the key properties of 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate?
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate has a molecular weight of 285.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 2403681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).