benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride

C20H27Cl3N2O2 — CID 173294580

IUPACbenzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride
SMILESCc1cccc(C(=O)N(N)C(C)(C)C)c1C.Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C13H20N2O.C7H5ClO.2ClH/c1-9-7-6-8-11(10(9)2)12(16)15(14)13(3,4)5;8-7(9)6-4-2-1-3-5-6;;/h6-8H,14H2,1-5H3;1-5H;2*1H
InChIKeyUMDAVVBKFLWMPA-UHFFFAOYSA-N
MW433.81 g/mol
LogP5.33
Rot. Bonds2

About benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride

benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride (PubChem CID 173294580) has the molecular formula C20H27Cl3N2O2 and a molecular weight of 433.81 g/mol. Its IUPAC name is benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride
PubChem CID173294580
Molecular FormulaC20H27Cl3N2O2
Molecular Weight433.81 g/mol
Exact Mass432.11
IUPAC Namebenzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride
SMILESCc1cccc(C(=O)N(N)C(C)(C)C)c1C.Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C13H20N2O.C7H5ClO.2ClH/c1-9-7-6-8-11(10(9)2)12(16)15(14)13(3,4)5;8-7(9)6-4-2-1-3-5-6;;/h6-8H,14H2,1-5H3;1-5H;2*1H
InChIKeyUMDAVVBKFLWMPA-UHFFFAOYSA-N
XLogP5.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoyl chloride;N,4-ditert-butyl-3,5-dimethylbenzohydrazide;dihydrochloride
CID 173295051
benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride
CID 173293989
benzoyl chloride;N-tert-butyl-2,5-difluorobenzohydrazide;dihydrochloride
CID 173294787
benzoyl chloride;N-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)benzohydrazide;dihydrochloride
CID 173295461
benzoyl chloride;N-tert-butylnaphthalene-2-carbohydrazide;dihydrochloride
CID 173294045
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
sodium;2-bromo-N-tert-butylbenzohydrazide;hydride;toluene;hydrate;dihydrochloride
CID 173294130
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
3-[tert-butyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60826033
benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride
CID 159300937
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride?
The IUPAC name of benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride (CID 173294580) is benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride.
What is the SMILES notation for benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride?
The canonical SMILES for benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride is Cc1cccc(C(=O)N(N)C(C)(C)C)c1C.Cl.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride?
The InChIKey is UMDAVVBKFLWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C7H5ClO.2ClH/c1-9-7-6-8-11(10(9)2)12(16)15(14)13(3,4)5;8-7(9)6-4-2-1-3-5-6;;/h6-8H,14H2,1-5H3;1-5H;2*1H.
What are the key properties of benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride?
benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride has a molecular weight of 433.81 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride is sourced from PubChem (CID 173294580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).