3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

C17H15N3O3 — CID 8696563

IUPAC3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H15N3O3/c1-12-5-2-3-8-15(12)23-11-16(21)19-20-17(22)14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZNAJOZKZUOVSS-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.71
Rot. Bonds4

About 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 8696563) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
PubChem CID8696563
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H15N3O3/c1-12-5-2-3-8-15(12)23-11-16(21)19-20-17(22)14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZNAJOZKZUOVSS-UHFFFAOYSA-N
XLogP1.71
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
CID 27006212
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
ethyl 2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoacetate
CID 129246974
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (CID 8696563) is 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is DZNAJOZKZUOVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-5-2-3-8-15(12)23-11-16(21)19-20-17(22)14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 309.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 8696563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).