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

C18H17N3O2 — CID 39972640

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12-6-2-3-7-14(12)18(23)21-20-17(22)10-13-11-19-16-9-5-4-8-15(13)16/h2-9,11,19H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEKIMGFUSSSRJF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.48
Rot. Bonds3

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

N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide (PubChem CID 39972640) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
PubChem CID39972640
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12-6-2-3-7-14(12)18(23)21-20-17(22)10-13-11-19-16-9-5-4-8-15(13)16/h2-9,11,19H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEKIMGFUSSSRJF-UHFFFAOYSA-N
XLogP2.48
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
N'-[2-(1H-indol-3-yl)acetyl]-1,2-dihydroacenaphthylene-5-carbohydrazide
CID 24559782
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide (CID 39972640) is N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide?
The InChIKey is UEKIMGFUSSSRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-2-3-7-14(12)18(23)21-20-17(22)10-13-11-19-16-9-5-4-8-15(13)16/h2-9,11,19H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide has a molecular weight of 307.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide is sourced from PubChem (CID 39972640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).