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

C23H20N4O2 — CID 31828855

IUPAC2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(14-16-15-24-20-12-6-4-10-18(16)20)26-27-23(29)19-11-5-7-13-21(19)25-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H,26,28)(H,27,29)
InChIKeyBCSUIIGVPSTDPU-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.92
Rot. Bonds5

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

2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide (PubChem CID 31828855) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
PubChem CID31828855
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(14-16-15-24-20-12-6-4-10-18(16)20)26-27-23(29)19-11-5-7-13-21(19)25-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H,26,28)(H,27,29)
InChIKeyBCSUIIGVPSTDPU-UHFFFAOYSA-N
XLogP3.92
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-1,2-dihydroacenaphthylene-5-carbohydrazide
CID 24559782
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide (CID 31828855) is 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The InChIKey is BCSUIIGVPSTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(14-16-15-24-20-12-6-4-10-18(16)20)26-27-23(29)19-11-5-7-13-21(19)25-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H,26,28)(H,27,29).
What are the key properties of 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide has a molecular weight of 384.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 31828855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).