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

C19H19N3O2 — CID 46596321

IUPAC2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12-7-3-4-8-14(12)19(24)22-21-18(23)11-16-13(2)20-17-10-6-5-9-15(16)17/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIQYKBHDDCDTOW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.79
Rot. Bonds3

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

2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide (PubChem CID 46596321) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
PubChem CID46596321
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12-7-3-4-8-14(12)19(24)22-21-18(23)11-16-13(2)20-17-10-6-5-9-15(16)17/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIQYKBHDDCDTOW-UHFFFAOYSA-N
XLogP2.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 31899293
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide (CID 46596321) is 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
The InChIKey is CIQYKBHDDCDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-7-3-4-8-14(12)19(24)22-21-18(23)11-16-13(2)20-17-10-6-5-9-15(16)17/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide?
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46596321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).