3-phenoxybenzohydrazide

C13H12N2O2 — CID 607488

IUPAC3-phenoxybenzohydrazide
SMILESNNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
InChIKeyAZEXBWWYRSXTTN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.08
Rot. Bonds3

About 3-phenoxybenzohydrazide

3-phenoxybenzohydrazide (PubChem CID 607488) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-phenoxybenzohydrazide.

Molecular Properties

Compound Name3-phenoxybenzohydrazide
PubChem CID607488
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-phenoxybenzohydrazide
SMILESNNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
InChIKeyAZEXBWWYRSXTTN-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-phenoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxybenzamide
CID 98487
4-Methoxybenzohydrazide
CID 76792
o-Anisohydrazide
CID 24051
2-(Benzyloxy)benzohydrazide
CID 935766
N'-benzoyl-2-oxochromene-3-carbohydrazide
CID 569534
N'1,N'6-bis(4-methoxybenzoyl)hexanedihydrazide
CID 3115394
1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
m-Anisohydrazide
CID 79848
4-(4-Carbamoylphenoxy)benzamide
CID 236501
3-(4-Carbamoylphenoxy)benzamide
CID 69845715
N'-(4,4,5,5,6,6,6-heptafluoro-1-methyl-3-oxo-1-hexenyl)-3-methoxybenzohydrazide
CID 5753962
N'-benzoyl-2-methoxybenzohydrazide
CID 790049

Frequently Asked Questions

What is the IUPAC name of 3-phenoxybenzohydrazide?
The IUPAC name of 3-phenoxybenzohydrazide (CID 607488) is 3-phenoxybenzohydrazide.
What is the SMILES notation for 3-phenoxybenzohydrazide?
The canonical SMILES for 3-phenoxybenzohydrazide is NNC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxybenzohydrazide?
The InChIKey is AZEXBWWYRSXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16).
What are the key properties of 3-phenoxybenzohydrazide?
3-phenoxybenzohydrazide has a molecular weight of 228.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybenzohydrazide is sourced from PubChem (CID 607488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).