N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide

C20H23ClN2O5 — CID 7964784

IUPACN'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C20H23ClN2O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)19(24)22-23-20(25)14-9-7-8-10-15(14)21/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGRPNYOXPLPRIBK-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.61
Rot. Bonds8

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

N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide (PubChem CID 7964784) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
PubChem CID7964784
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C20H23ClN2O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)19(24)22-23-20(25)14-9-7-8-10-15(14)21/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGRPNYOXPLPRIBK-UHFFFAOYSA-N
XLogP3.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.61
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-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
1-(3-chloro-2-methylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 4084114
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
CID 34250417
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
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-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide (CID 7964784) is N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(OCC)c1OCC.
What is the InChIKey of N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide?
The InChIKey is GRPNYOXPLPRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)19(24)22-23-20(25)14-9-7-8-10-15(14)21/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide?
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide has a molecular weight of 406.87 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 7964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).