3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide

C12H17ClN2O2 — CID 116846356

IUPAC3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-8-6-11(17-3)10(13)7-9(8)4-5-12(16)15-14-2/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyRVSXZHSVOVEADI-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.84
Rot. Bonds5

About 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide

3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide (PubChem CID 116846356) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
PubChem CID116846356
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-8-6-11(17-3)10(13)7-9(8)4-5-12(16)15-14-2/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyRVSXZHSVOVEADI-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide (CID 116846356) is 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide is CNNC(=O)CCc1cc(Cl)c(OC)cc1C.
What is the InChIKey of 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide?
The InChIKey is RVSXZHSVOVEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-6-11(17-3)10(13)7-9(8)4-5-12(16)15-14-2/h6-7,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide?
3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide has a molecular weight of 256.73 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116846356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).