N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide

C21H26Cl2N2O2Si — CID 67913113

IUPACN-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc([Si](C)(C)C)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H26Cl2N2O2Si/c1-21(2,3)25(20(27)17-13-15(22)9-12-18(17)23)24-19(26)14-7-10-16(11-8-14)28(4,5)6/h7-13H,1-6H3,(H,24,26)
InChIKeyXGJADEYHVPPDHW-UHFFFAOYSA-N
MW437.44 g/mol
LogP5.12
Rot. Bonds3

About N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide

N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide (PubChem CID 67913113) has the molecular formula C21H26Cl2N2O2Si and a molecular weight of 437.44 g/mol. Its IUPAC name is N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
PubChem CID67913113
Molecular FormulaC21H26Cl2N2O2Si
Molecular Weight437.44 g/mol
Exact Mass436.11
IUPAC NameN-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc([Si](C)(C)C)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H26Cl2N2O2Si/c1-21(2,3)25(20(27)17-13-15(22)9-12-18(17)23)24-19(26)14-7-10-16(11-8-14)28(4,5)6/h7-13H,1-6H3,(H,24,26)
InChIKeyXGJADEYHVPPDHW-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-N'-(3,4-dichlorobenzoyl)furan-3-carbohydrazide
CID 23200652
N-[tert-butyl-[(4-nitrobenzoyl)amino]carbamoyl]-2,5-dichlorobenzamide
CID 140969484
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
CID 134106621
N-[[tert-butyl-(4-nitrobenzoyl)amino]carbamoyl]-2,5-dichlorobenzamide
CID 159338091
[tert-butyl-[(4-chlorobenzoyl)amino]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764164
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide (CID 67913113) is N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide is CC(C)(C)N(NC(=O)c1ccc([Si](C)(C)C)cc1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide?
The InChIKey is XGJADEYHVPPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O2Si/c1-21(2,3)25(20(27)17-13-15(22)9-12-18(17)23)24-19(26)14-7-10-16(11-8-14)28(4,5)6/h7-13H,1-6H3,(H,24,26).
What are the key properties of N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide?
N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide has a molecular weight of 437.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide is sourced from PubChem (CID 67913113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).