2-[(4-cyanophenoxy)methyl]benzohydrazide

C15H13N3O2 — CID 63574454

IUPAC2-[(4-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccc(OCc2ccccc2C(=O)NN)cc1
InChIInChI=1S/C15H13N3O2/c16-9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-14(12)15(19)18-17/h1-8H,10,17H2,(H,18,19)
InChIKeyIAHQMUPBXYIYFH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.74
Rot. Bonds4

About 2-[(4-cyanophenoxy)methyl]benzohydrazide

2-[(4-cyanophenoxy)methyl]benzohydrazide (PubChem CID 63574454) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(4-cyanophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4-cyanophenoxy)methyl]benzohydrazide
PubChem CID63574454
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(4-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccc(OCc2ccccc2C(=O)NN)cc1
InChIInChI=1S/C15H13N3O2/c16-9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-14(12)15(19)18-17/h1-8H,10,17H2,(H,18,19)
InChIKeyIAHQMUPBXYIYFH-UHFFFAOYSA-N
XLogP1.74
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.74
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-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
CID 107661586
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
2-(2-phenoxyethoxymethyl)benzohydrazide
CID 63574381
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141001
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenoxy)methyl]benzohydrazide?
The IUPAC name of 2-[(4-cyanophenoxy)methyl]benzohydrazide (CID 63574454) is 2-[(4-cyanophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 2-[(4-cyanophenoxy)methyl]benzohydrazide?
The canonical SMILES for 2-[(4-cyanophenoxy)methyl]benzohydrazide is N#Cc1ccc(OCc2ccccc2C(=O)NN)cc1.
What is the InChIKey of 2-[(4-cyanophenoxy)methyl]benzohydrazide?
The InChIKey is IAHQMUPBXYIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-14(12)15(19)18-17/h1-8H,10,17H2,(H,18,19).
What are the key properties of 2-[(4-cyanophenoxy)methyl]benzohydrazide?
2-[(4-cyanophenoxy)methyl]benzohydrazide has a molecular weight of 267.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63574454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).