benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride

C16H28Cl3N3O2 — CID 173294727

IUPACbenzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
SMILESCC(C)(C)NN.CCN(CC)C(=O)Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.C5H10ClNO.C4H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-7(4-2)5(6)8;1-4(2,3)6-5;/h1-5H;3-4H2,1-2H3;6H,5H2,1-3H3;1H
InChIKeyFAPDYADTQODDTG-UHFFFAOYSA-N
MW400.78 g/mol
LogP4.42
Rot. Bonds3

About benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride

benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride (PubChem CID 173294727) has the molecular formula C16H28Cl3N3O2 and a molecular weight of 400.78 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
PubChem CID173294727
Molecular FormulaC16H28Cl3N3O2
Molecular Weight400.78 g/mol
Exact Mass399.12
IUPAC Namebenzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
SMILESCC(C)(C)NN.CCN(CC)C(=O)Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.C5H10ClNO.C4H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-7(4-2)5(6)8;1-4(2,3)6-5;/h1-5H;3-4H2,1-2H3;6H,5H2,1-3H3;1H
InChIKeyFAPDYADTQODDTG-UHFFFAOYSA-N
XLogP4.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 54.42
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294057
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
CID 173294666
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
benzoic acid;benzoyl chloride
CID 87427055
benzoyl chloride;selane
CID 174449470

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride (CID 173294727) is benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride is CC(C)(C)NN.CCN(CC)C(=O)Cl.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride?
The InChIKey is FAPDYADTQODDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO.C5H10ClNO.C4H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-7(4-2)5(6)8;1-4(2,3)6-5;/h1-5H;3-4H2,1-2H3;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride has a molecular weight of 400.78 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride is sourced from PubChem (CID 173294727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).