N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide

C17H16ClFN2O5 — CID 9084627

IUPACN'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc(OC)c1OC
InChIInChI=1S/C17H16ClFN2O5/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(22)20-21-17(23)11-5-4-10(18)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyLWDYUOJUDAPOBS-UHFFFAOYSA-N
MW382.78 g/mol
LogP2.58
Rot. Bonds5

About N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide

N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 9084627) has the molecular formula C17H16ClFN2O5 and a molecular weight of 382.78 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID9084627
Molecular FormulaC17H16ClFN2O5
Molecular Weight382.78 g/mol
Exact Mass382.07
IUPAC NameN'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc(OC)c1OC
InChIInChI=1S/C17H16ClFN2O5/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(22)20-21-17(23)11-5-4-10(18)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyLWDYUOJUDAPOBS-UHFFFAOYSA-N
XLogP2.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
4-chloro-N'-(4-chlorobenzoyl)-2-fluorobenzohydrazide
CID 9075928
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide (CID 9084627) is N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc(OC)c1OC.
What is the InChIKey of N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is LWDYUOJUDAPOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O5/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(22)20-21-17(23)11-5-4-10(18)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide?
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 382.78 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 9084627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).