4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate

C17H13FN3O4- — CID 4178968

IUPAC4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H14FN3O4/c18-14-7-5-12(6-8-14)16(23)19-10-15(22)21-20-9-11-1-3-13(4-2-11)17(24)25/h1-9H,10H2,(H,19,23)(H,21,22)(H,24,25)/p-1
InChIKeyLFUXWZXLVWHTEP-UHFFFAOYSA-M
MW342.31 g/mol
LogP0.07
Rot. Bonds6

About 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate

4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 4178968) has the molecular formula C17H13FN3O4- and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
PubChem CID4178968
Molecular FormulaC17H13FN3O4-
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H14FN3O4/c18-14-7-5-12(6-8-14)16(23)19-10-15(22)21-20-9-11-1-3-13(4-2-11)17(24)25/h1-9H,10H2,(H,19,23)(H,21,22)(H,24,25)/p-1
InChIKeyLFUXWZXLVWHTEP-UHFFFAOYSA-M
XLogP0.07
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-[[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4178970
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060577
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136672598
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 5085416
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 51060721
4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4178971

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate (CID 4178968) is 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate is O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is LFUXWZXLVWHTEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14FN3O4/c18-14-7-5-12(6-8-14)16(23)19-10-15(22)21-20-9-11-1-3-13(4-2-11)17(24)25/h1-9H,10H2,(H,19,23)(H,21,22)(H,24,25)/p-1.
What are the key properties of 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate?
4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 342.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 4178968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).