tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride

C22H31Cl3N2O2 — CID 173294793

IUPACtert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride
SMILESCC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/C18H17ClO2.C4H12N2.2ClH/c1-11(2)13-7-9-14(10-8-13)17(20)16-12(3)5-4-6-15(16)18(19)21;1-4(2,3)6-5;;/h4-11H,1-3H3;6H,5H2,1-3H3;2*1H
InChIKeyMLARYUOLNRPSGM-UHFFFAOYSA-N
MW461.86 g/mol
LogP5.82
Rot. Bonds4

About tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride

tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride (PubChem CID 173294793) has the molecular formula C22H31Cl3N2O2 and a molecular weight of 461.86 g/mol. Its IUPAC name is tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride.

Molecular Properties

Compound Nametert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride
PubChem CID173294793
Molecular FormulaC22H31Cl3N2O2
Molecular Weight461.86 g/mol
Exact Mass460.15
IUPAC Nametert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride
SMILESCC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/C18H17ClO2.C4H12N2.2ClH/c1-11(2)13-7-9-14(10-8-13)17(20)16-12(3)5-4-6-15(16)18(19)21;1-4(2,3)6-5;;/h4-11H,1-3H3;6H,5H2,1-3H3;2*1H
InChIKeyMLARYUOLNRPSGM-UHFFFAOYSA-N
XLogP5.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.86
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride
CID 173294654
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294057
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602

Frequently Asked Questions

What is the IUPAC name of tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride?
The IUPAC name of tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride (CID 173294793) is tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride.
What is the SMILES notation for tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride?
The canonical SMILES for tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride is CC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccc(C(C)C)cc1.Cl.Cl.
What is the InChIKey of tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride?
The InChIKey is MLARYUOLNRPSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2.C4H12N2.2ClH/c1-11(2)13-7-9-14(10-8-13)17(20)16-12(3)5-4-6-15(16)18(19)21;1-4(2,3)6-5;;/h4-11H,1-3H3;6H,5H2,1-3H3;2*1H.
What are the key properties of tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride?
tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride has a molecular weight of 461.86 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride is sourced from PubChem (CID 173294793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).