1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

C23H27ClN4O2 — CID 144739226

IUPAC1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cc(OCc2c(C)cccc2N(C)N)cc(-c2ccc(Cl)cc2)c1.NNC=O
InChIInChI=1S/C22H23ClN2O.CH4N2O/c1-15-11-18(17-7-9-19(23)10-8-17)13-20(12-15)26-14-21-16(2)5-4-6-22(21)25(3)24;2-3-1-4/h4-13H,14,24H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyGKVMRQSBAUBGED-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.12
Rot. Bonds6

About 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144739226) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
PubChem CID144739226
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cc(OCc2c(C)cccc2N(C)N)cc(-c2ccc(Cl)cc2)c1.NNC=O
InChIInChI=1S/C22H23ClN2O.CH4N2O/c1-15-11-18(17-7-9-19(23)10-8-17)13-20(12-15)26-14-21-16(2)5-4-6-22(21)25(3)24;2-3-1-4/h4-13H,14,24H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyGKVMRQSBAUBGED-UHFFFAOYSA-N
XLogP4.12
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (CID 144739226) is 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is Cc1cc(OCc2c(C)cccc2N(C)N)cc(-c2ccc(Cl)cc2)c1.NNC=O.
What is the InChIKey of 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is GKVMRQSBAUBGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O.CH4N2O/c1-15-11-18(17-7-9-19(23)10-8-17)13-20(12-15)26-14-21-16(2)5-4-6-22(21)25(3)24;2-3-1-4/h4-13H,14,24H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 426.95 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144739226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).