N-[2-(1H-indol-3-yl)ethyl]benzohydrazide

C17H17N3O — CID 151440969

IUPACN-[2-(1H-indol-3-yl)ethyl]benzohydrazide
SMILESNN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O/c18-20(17(21)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11,18H2
InChIKeyPEMWQUFTHJZOMV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]benzohydrazide

N-[2-(1H-indol-3-yl)ethyl]benzohydrazide (PubChem CID 151440969) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]benzohydrazide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]benzohydrazide
PubChem CID151440969
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]benzohydrazide
SMILESNN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O/c18-20(17(21)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11,18H2
InChIKeyPEMWQUFTHJZOMV-UHFFFAOYSA-N
XLogP2.73
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 11493048
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]benzohydrazide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]benzohydrazide (CID 151440969) is N-[2-(1H-indol-3-yl)ethyl]benzohydrazide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]benzohydrazide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]benzohydrazide is NN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]benzohydrazide?
The InChIKey is PEMWQUFTHJZOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-20(17(21)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11,18H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]benzohydrazide?
N-[2-(1H-indol-3-yl)ethyl]benzohydrazide has a molecular weight of 279.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]benzohydrazide is sourced from PubChem (CID 151440969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).