N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide

C20H22Cl2N2O2 — CID 70428217

IUPACN-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2Cl)C(C)(C)C)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-5-13-6-8-14(9-7-13)18(25)23-24(20(2,3)4)19(26)16-11-10-15(21)12-17(16)22/h6-12H,5H2,1-4H3,(H,23,25)
InChIKeyHALRPDINTUPXNU-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.14
Rot. Bonds3

About N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide

N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide (PubChem CID 70428217) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
PubChem CID70428217
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2Cl)C(C)(C)C)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-5-13-6-8-14(9-7-13)18(25)23-24(20(2,3)4)19(26)16-11-10-15(21)12-17(16)22/h6-12H,5H2,1-4H3,(H,23,25)
InChIKeyHALRPDINTUPXNU-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
CID 67913113
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
CID 67934022
N'-tert-butyl-N'-(cyclobutanecarbonyl)-4-ethylbenzohydrazide
CID 102122876

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide (CID 70428217) is N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide is CCc1ccc(C(=O)NN(C(=O)c2ccc(Cl)cc2Cl)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide?
The InChIKey is HALRPDINTUPXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-5-13-6-8-14(9-7-13)18(25)23-24(20(2,3)4)19(26)16-11-10-15(21)12-17(16)22/h6-12H,5H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide?
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide has a molecular weight of 393.31 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide is sourced from PubChem (CID 70428217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).