[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate

C23H18FN3O5 — CID 3615817

IUPAC[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O5/c1-31-20-9-5-4-8-19(20)26-21(28)22(29)27-25-14-15-10-12-16(13-11-15)32-23(30)17-6-2-3-7-18(17)24/h2-14H,1H3,(H,26,28)(H,27,29)
InChIKeyPYYOTKCXHZSGQL-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.14
Rot. Bonds6

About [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate

[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate (PubChem CID 3615817) has the molecular formula C23H18FN3O5 and a molecular weight of 435.41 g/mol. Its IUPAC name is [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
PubChem CID3615817
Molecular FormulaC23H18FN3O5
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O5/c1-31-20-9-5-4-8-19(20)26-21(28)22(29)27-25-14-15-10-12-16(13-11-15)32-23(30)17-6-2-3-7-18(17)24/h2-14H,1H3,(H,26,28)(H,27,29)
InChIKeyPYYOTKCXHZSGQL-UHFFFAOYSA-N
XLogP3.14
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
[4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060942
[3-[[[2-(2,4-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 4639823
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
[4-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 5186669
[4-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6000154
[4-[(E)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 19659295

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate (CID 3615817) is [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1.
What is the InChIKey of [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The InChIKey is PYYOTKCXHZSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5/c1-31-20-9-5-4-8-19(20)26-21(28)22(29)27-25-14-15-10-12-16(13-11-15)32-23(30)17-6-2-3-7-18(17)24/h2-14H,1H3,(H,26,28)(H,27,29).
What are the key properties of [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate has a molecular weight of 435.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 3615817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).