benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride

C18H22Cl3IN2O2 — CID 173294110

IUPACbenzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1cccc(I)c1.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H4ClIO.C7H5ClO.C4H12N2.ClH/c8-7(10)5-2-1-3-6(9)4-5;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H
InChIKeyYVDOCEINWIXOON-UHFFFAOYSA-N
MW531.65 g/mol
LogP5.41
Rot. Bonds2

About benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride

benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride (PubChem CID 173294110) has the molecular formula C18H22Cl3IN2O2 and a molecular weight of 531.65 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
PubChem CID173294110
Molecular FormulaC18H22Cl3IN2O2
Molecular Weight531.65 g/mol
Exact Mass529.98
IUPAC Namebenzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1cccc(I)c1.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H4ClIO.C7H5ClO.C4H12N2.ClH/c8-7(10)5-2-1-3-6(9)4-5;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H
InChIKeyYVDOCEINWIXOON-UHFFFAOYSA-N
XLogP5.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 55.41
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
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;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
CID 173294666
benzoyl chloride;hydrazine
CID 19933227
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
CID 90811599
CID 90811599

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride (CID 173294110) is benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride is CC(C)(C)NN.Cl.O=C(Cl)c1cccc(I)c1.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride?
The InChIKey is YVDOCEINWIXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO.C7H5ClO.C4H12N2.ClH/c8-7(10)5-2-1-3-6(9)4-5;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride has a molecular weight of 531.65 g/mol, XLogP of 5.41, 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;3-iodobenzoyl chloride;hydrochloride is sourced from PubChem (CID 173294110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).