benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride

C18H22Cl3FN2O2 — CID 173293989

IUPACbenzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride
SMILESCC(C)(C)N(N)C(=O)c1cccc(F)c1.Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C11H15FN2O.C7H5ClO.2ClH/c1-11(2,3)14(13)10(15)8-5-4-6-9(12)7-8;8-7(9)6-4-2-1-3-5-6;;/h4-7H,13H2,1-3H3;1-5H;2*1H
InChIKeyOGBVHCZSNSLKGP-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.85
Rot. Bonds2

About benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride

benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride (PubChem CID 173293989) has the molecular formula C18H22Cl3FN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride
PubChem CID173293989
Molecular FormulaC18H22Cl3FN2O2
Molecular Weight423.74 g/mol
Exact Mass422.07
IUPAC Namebenzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride
SMILESCC(C)(C)N(N)C(=O)c1cccc(F)c1.Cl.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C11H15FN2O.C7H5ClO.2ClH/c1-11(2,3)14(13)10(15)8-5-4-6-9(12)7-8;8-7(9)6-4-2-1-3-5-6;;/h4-7H,13H2,1-3H3;1-5H;2*1H
InChIKeyOGBVHCZSNSLKGP-UHFFFAOYSA-N
XLogP4.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.85
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-tert-butyl-2,5-difluorobenzohydrazide;dihydrochloride
CID 173294787
benzoyl chloride;N-tert-butylnaphthalene-2-carbohydrazide;dihydrochloride
CID 173294045
benzoyl chloride;N,4-ditert-butyl-3,5-dimethylbenzohydrazide;dihydrochloride
CID 173295051
benzoyl chloride;N-tert-butyl-2,3-dimethylbenzohydrazide;dihydrochloride
CID 173294580
N-tert-butyl-3-nitrobenzohydrazide
CID 134113421
4-[amino(tert-butyl)sulfamoyl]benzoyl chloride;benzoyl chloride;methane;hydrochloride
CID 173294656
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride?
The IUPAC name of benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride (CID 173293989) is benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride.
What is the SMILES notation for benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride?
The canonical SMILES for benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride is CC(C)(C)N(N)C(=O)c1cccc(F)c1.Cl.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride?
The InChIKey is OGBVHCZSNSLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.C7H5ClO.2ClH/c1-11(2,3)14(13)10(15)8-5-4-6-9(12)7-8;8-7(9)6-4-2-1-3-5-6;;/h4-7H,13H2,1-3H3;1-5H;2*1H.
What are the key properties of benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride?
benzoyl chloride;N-tert-butyl-3-fluorobenzohydrazide;dihydrochloride has a molecular weight of 423.74 g/mol, XLogP of 4.85, 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-3-fluorobenzohydrazide;dihydrochloride is sourced from PubChem (CID 173293989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).