N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride

C20H26Cl4N2O2 — CID 70294476

IUPACN'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)cc1.Cl.Cl.Cl
InChIInChI=1S/C20H23ClN2O2.3ClH/c1-5-14-6-8-15(9-7-14)18(24)22-23(20(2,3)4)19(25)16-10-12-17(21)13-11-16;;;/h6-13H,5H2,1-4H3,(H,22,24);3*1H
InChIKeyOVCWOTOPJDMFTK-UHFFFAOYSA-N
MW468.25 g/mol
LogP5.75
Rot. Bonds3

About N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride

N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride (PubChem CID 70294476) has the molecular formula C20H26Cl4N2O2 and a molecular weight of 468.25 g/mol. Its IUPAC name is N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride.

Molecular Properties

Compound NameN'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
PubChem CID70294476
Molecular FormulaC20H26Cl4N2O2
Molecular Weight468.25 g/mol
Exact Mass466.07
IUPAC NameN'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)cc1.Cl.Cl.Cl
InChIInChI=1S/C20H23ClN2O2.3ClH/c1-5-14-6-8-15(9-7-14)18(24)22-23(20(2,3)4)19(25)16-10-12-17(21)13-11-16;;;/h6-13H,5H2,1-4H3,(H,22,24);3*1H
InChIKeyOVCWOTOPJDMFTK-UHFFFAOYSA-N
XLogP5.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.25
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
CID 67934022
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N-tert-butyl-4-chloro-N'-hex-2-ynoylbenzohydrazide
CID 67921954
N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
CID 67921777

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride?
The IUPAC name of N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride (CID 70294476) is N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride.
What is the SMILES notation for N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride?
The canonical SMILES for N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride is CCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)cc1.Cl.Cl.Cl.
What is the InChIKey of N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride?
The InChIKey is OVCWOTOPJDMFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.3ClH/c1-5-14-6-8-15(9-7-14)18(24)22-23(20(2,3)4)19(25)16-10-12-17(21)13-11-16;;;/h6-13H,5H2,1-4H3,(H,22,24);3*1H.
What are the key properties of N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride?
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride has a molecular weight of 468.25 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride is sourced from PubChem (CID 70294476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).