[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate

C24H18Cl2FN3O5 — CID 6249023

IUPAC[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
SMILESCOc1cc(/C=N\NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H18Cl2FN3O5/c1-34-21-10-14(2-9-20(21)35-24(33)16-5-8-18(25)19(26)11-16)12-29-30-22(31)13-28-23(32)15-3-6-17(27)7-4-15/h2-12H,13H2,1H3,(H,28,32)(H,30,31)/b29-12-
InChIKeyAODKUMXRPIKVBP-ULPWCQAASA-N
MW518.33 g/mol
LogP4.24
Rot. Bonds8

About [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate

[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate (PubChem CID 6249023) has the molecular formula C24H18Cl2FN3O5 and a molecular weight of 518.33 g/mol. Its IUPAC name is [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
PubChem CID6249023
Molecular FormulaC24H18Cl2FN3O5
Molecular Weight518.33 g/mol
Exact Mass517.06
IUPAC Name[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
SMILESCOc1cc(/C=N\NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H18Cl2FN3O5/c1-34-21-10-14(2-9-20(21)35-24(33)16-5-8-18(25)19(26)11-16)12-29-30-22(31)13-28-23(32)15-3-6-17(27)7-4-15/h2-12H,13H2,1H3,(H,28,32)(H,30,31)/b29-12-
InChIKeyAODKUMXRPIKVBP-ULPWCQAASA-N
XLogP4.24
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 3738344
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3565746
[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4247681
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3710426
3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3803468
[4-[(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 5048016
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6243829
[4-[(Z)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6036190
[4-[[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 4226760
[2-ethoxy-4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3459924
[4-[[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 3359143
[2-methoxy-4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4243627

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The IUPAC name of [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate (CID 6249023) is [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The canonical SMILES for [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate is COc1cc(/C=N\NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The InChIKey is AODKUMXRPIKVBP-ULPWCQAASA-N. The full InChI is InChI=1S/C24H18Cl2FN3O5/c1-34-21-10-14(2-9-20(21)35-24(33)16-5-8-18(25)19(26)11-16)12-29-30-22(31)13-28-23(32)15-3-6-17(27)7-4-15/h2-12H,13H2,1H3,(H,28,32)(H,30,31)/b29-12-.
What are the key properties of [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate has a molecular weight of 518.33 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 6249023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).