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

C19H25Cl3N2O3 — CID 173294596

IUPACbenzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.COc1cccc(C(=O)Cl)c1.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H7ClO2.C7H5ClO.C4H12N2.ClH/c1-11-7-4-2-3-6(5-7)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
InChIKeyFEEKHNULZGFHPN-UHFFFAOYSA-N
MW435.78 g/mol
LogP4.81
Rot. Bonds3

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

benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride (PubChem CID 173294596) has the molecular formula C19H25Cl3N2O3 and a molecular weight of 435.78 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
PubChem CID173294596
Molecular FormulaC19H25Cl3N2O3
Molecular Weight435.78 g/mol
Exact Mass434.09
IUPAC Namebenzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.COc1cccc(C(=O)Cl)c1.Cl.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H7ClO2.C7H5ClO.C4H12N2.ClH/c1-11-7-4-2-3-6(5-7)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
InChIKeyFEEKHNULZGFHPN-UHFFFAOYSA-N
XLogP4.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.78
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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;3-iodobenzoyl chloride;hydrochloride
CID 173294110
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;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
benzoyl chloride;tert-butylhydrazine;3-chloro-2-nitrobenzoyl chloride;hydrochloride
CID 173294773
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride (CID 173294596) is benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride is CC(C)(C)NN.COc1cccc(C(=O)Cl)c1.Cl.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride?
The InChIKey is FEEKHNULZGFHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.C7H5ClO.C4H12N2.ClH/c1-11-7-4-2-3-6(5-7)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;3-methoxybenzoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride has a molecular weight of 435.78 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride is sourced from PubChem (CID 173294596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).