2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide

C16H15N3O2 — CID 107661586

IUPAC2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(C#N)cc1OCc1ccccc1C(=O)NN
InChIInChI=1S/C16H15N3O2/c1-11-6-7-12(9-17)8-15(11)21-10-13-4-2-3-5-14(13)16(20)19-18/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyKGIRPLVMPOFYDR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.05
Rot. Bonds4

About 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide

2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide (PubChem CID 107661586) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
PubChem CID107661586
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(C#N)cc1OCc1ccccc1C(=O)NN
InChIInChI=1S/C16H15N3O2/c1-11-6-7-12(9-17)8-15(11)21-10-13-4-2-3-5-14(13)16(20)19-18/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyKGIRPLVMPOFYDR-UHFFFAOYSA-N
XLogP2.05
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(4-cyanophenoxy)methyl]benzohydrazide
CID 63574454
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
4-methyl-3-[(2-nitrophenyl)methoxy]benzonitrile
CID 103760077
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
CID 107661575
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
3-[(2-bromo-3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107660168

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide?
The IUPAC name of 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide (CID 107661586) is 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide is Cc1ccc(C#N)cc1OCc1ccccc1C(=O)NN.
What is the InChIKey of 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide?
The InChIKey is KGIRPLVMPOFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-7-12(9-17)8-15(11)21-10-13-4-2-3-5-14(13)16(20)19-18/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide?
2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide has a molecular weight of 281.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 107661586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).