4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride

C12H13Cl3N2O — CID 140538752

IUPAC4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride
SMILESCC(C)(CCl)C(=O)C(Cl)=NNc1ccc(Cl)cc1
InChIInChI=1S/C12H13Cl3N2O/c1-12(2,7-13)10(18)11(15)17-16-9-5-3-8(14)4-6-9/h3-6,16H,7H2,1-2H3
InChIKeyUKZJDFDIIYUHLP-UHFFFAOYSA-N
MW307.61 g/mol
LogP4.14
Rot. Bonds5

About 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride

4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride (PubChem CID 140538752) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride
PubChem CID140538752
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC Name4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride
SMILESCC(C)(CCl)C(=O)C(Cl)=NNc1ccc(Cl)cc1
InChIInChI=1S/C12H13Cl3N2O/c1-12(2,7-13)10(18)11(15)17-16-9-5-3-8(14)4-6-9/h3-6,16H,7H2,1-2H3
InChIKeyUKZJDFDIIYUHLP-UHFFFAOYSA-N
XLogP4.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
CID 76545643
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
CID 134858389
ethyl (1Z)-N-(4-chloroanilino)-2-oxopropanimidothioate
CID 51413538
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride (CID 140538752) is 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride is CC(C)(CCl)C(=O)C(Cl)=NNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride?
The InChIKey is UKZJDFDIIYUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c1-12(2,7-13)10(18)11(15)17-16-9-5-3-8(14)4-6-9/h3-6,16H,7H2,1-2H3.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride?
4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride has a molecular weight of 307.61 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride is sourced from PubChem (CID 140538752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).