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

C20H22ClFN2O5 — CID 26586710

IUPACN'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2F)cc(OCC)c1OCC
InChIInChI=1S/C20H22ClFN2O5/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(25)23-24-20(26)14-11-13(21)7-8-15(14)22/h7-11H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXTLLXIYOHYYHQP-UHFFFAOYSA-N
MW424.86 g/mol
LogP3.75
Rot. Bonds8

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

N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide (PubChem CID 26586710) has the molecular formula C20H22ClFN2O5 and a molecular weight of 424.86 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
PubChem CID26586710
Molecular FormulaC20H22ClFN2O5
Molecular Weight424.86 g/mol
Exact Mass424.12
IUPAC NameN'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2F)cc(OCC)c1OCC
InChIInChI=1S/C20H22ClFN2O5/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(25)23-24-20(26)14-11-13(21)7-8-15(14)22/h7-11H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXTLLXIYOHYYHQP-UHFFFAOYSA-N
XLogP3.75
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.75
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

5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
CID 46569178
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide (CID 26586710) is N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2F)cc(OCC)c1OCC.
What is the InChIKey of N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The InChIKey is XTLLXIYOHYYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O5/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(25)23-24-20(26)14-11-13(21)7-8-15(14)22/h7-11H,4-6H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide?
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide has a molecular weight of 424.86 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 26586710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).