2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide

C12H17ClN2O2 — CID 116845891

IUPAC2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
SMILESCOc1ccc(Cl)cc1C(C)(C)C(=O)N(C)N
InChIInChI=1S/C12H17ClN2O2/c1-12(2,11(16)15(3)14)9-7-8(13)5-6-10(9)17-4/h5-7H,14H2,1-4H3
InChIKeyAFHHQNSXSZJBBI-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.96
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide

2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide (PubChem CID 116845891) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
PubChem CID116845891
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
SMILESCOc1ccc(Cl)cc1C(C)(C)C(=O)N(C)N
InChIInChI=1S/C12H17ClN2O2/c1-12(2,11(16)15(3)14)9-7-8(13)5-6-10(9)17-4/h5-7H,14H2,1-4H3
InChIKeyAFHHQNSXSZJBBI-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide 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

2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
2-(5-chloro-2-methoxyphenyl)-2-methylbutanoic acid
CID 83843382
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
CID 3917542
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
CID 110487685
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
CID 130684058
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
4-chloro-2-(2-isocyanatopropan-2-yl)-1-methoxybenzene
CID 82080893
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide (CID 116845891) is 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide is COc1ccc(Cl)cc1C(C)(C)C(=O)N(C)N.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide?
The InChIKey is AFHHQNSXSZJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,11(16)15(3)14)9-7-8(13)5-6-10(9)17-4/h5-7H,14H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide?
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide has a molecular weight of 256.73 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide is sourced from PubChem (CID 116845891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).