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

C23H19N3O3 — CID 34656833

IUPAC2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C23H19N3O3/c1-16-7-6-9-18(13-16)29-15-22(27)25-26-23(28)21-12-5-4-11-20(21)19-10-3-2-8-17(19)14-24/h2-13H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDFJIDRCXILGJN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.37
Rot. Bonds5

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

2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (PubChem CID 34656833) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
PubChem CID34656833
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C23H19N3O3/c1-16-7-6-9-18(13-16)29-15-22(27)25-26-23(28)21-12-5-4-11-20(21)19-10-3-2-8-17(19)14-24/h2-13H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDFJIDRCXILGJN-UHFFFAOYSA-N
XLogP3.37
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.37
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-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51146468
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (CID 34656833) is 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is VDFJIDRCXILGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-7-6-9-18(13-16)29-15-22(27)25-26-23(28)21-12-5-4-11-20(21)19-10-3-2-8-17(19)14-24/h2-13H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 34656833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).