N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide

C24H21N3O3 — CID 24517687

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-23(14-18-15-25-22-13-7-6-11-20(18)22)26-27-24(29)21-12-5-4-8-17(21)16-30-19-9-2-1-3-10-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyWIUQWDFJVYVVLR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.75
Rot. Bonds6

About N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide (PubChem CID 24517687) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
PubChem CID24517687
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-23(14-18-15-25-22-13-7-6-11-20(18)22)26-27-24(29)21-12-5-4-8-17(21)16-30-19-9-2-1-3-10-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyWIUQWDFJVYVVLR-UHFFFAOYSA-N
XLogP3.75
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide 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

N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 46490653
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-2-(oxolan-2-ylmethoxy)benzohydrazide
CID 43047999
N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
CID 30689433
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide (CID 24517687) is N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide?
The InChIKey is WIUQWDFJVYVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(14-18-15-25-22-13-7-6-11-20(18)22)26-27-24(29)21-12-5-4-8-17(21)16-30-19-9-2-1-3-10-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide has a molecular weight of 399.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide is sourced from PubChem (CID 24517687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).