2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide

C12H17ClN2O2 — CID 116843880

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
SMILESCOc1cc(C)c(Cl)c(C)c1C(C)C(=O)NN
InChIInChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)10(7(2)11(6)13)8(3)12(16)15-14/h5,8H,14H2,1-4H3,(H,15,16)
InChIKeyVARNIBQHNSLWEO-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide (PubChem CID 116843880) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
PubChem CID116843880
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
SMILESCOc1cc(C)c(Cl)c(C)c1C(C)C(=O)NN
InChIInChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)10(7(2)11(6)13)8(3)12(16)15-14/h5,8H,14H2,1-4H3,(H,15,16)
InChIKeyVARNIBQHNSLWEO-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide 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-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide (CID 116843880) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide is COc1cc(C)c(Cl)c(C)c1C(C)C(=O)NN.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide?
The InChIKey is VARNIBQHNSLWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)10(7(2)11(6)13)8(3)12(16)15-14/h5,8H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide has a molecular weight of 256.73 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide is sourced from PubChem (CID 116843880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).