benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride

C19H25Cl3N2O2 — CID 173294629

IUPACbenzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cc1ccccc1C(=O)Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H7ClO.C7H5ClO.C4H12N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h2-5H,1H3;1-5H;6H,5H2,1-3H3;1H
InChIKeyCKTKXYBUOPXJTI-UHFFFAOYSA-N
MW419.78 g/mol
LogP5.11
Rot. Bonds2

About benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride

benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride (PubChem CID 173294629) has the molecular formula C19H25Cl3N2O2 and a molecular weight of 419.78 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
PubChem CID173294629
Molecular FormulaC19H25Cl3N2O2
Molecular Weight419.78 g/mol
Exact Mass418.10
IUPAC Namebenzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cc1ccccc1C(=O)Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H7ClO.C7H5ClO.C4H12N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h2-5H,1H3;1-5H;6H,5H2,1-3H3;1H
InChIKeyCKTKXYBUOPXJTI-UHFFFAOYSA-N
XLogP5.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.78
LogP ≤ 55.11
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

benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294057
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride
CID 173294654
tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride
CID 173294793
benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride
CID 173294580

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride (CID 173294629) is benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride is CC(C)(C)NN.Cc1ccccc1C(=O)Cl.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride?
The InChIKey is CKTKXYBUOPXJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO.C7H5ClO.C4H12N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h2-5H,1H3;1-5H;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride has a molecular weight of 419.78 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride is sourced from PubChem (CID 173294629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).