N'-(2-phenylethyl)-1H-indole-2-carbohydrazide

C17H17N3O — CID 155552578

IUPACN'-(2-phenylethyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNCCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O/c21-17(16-12-14-8-4-5-9-15(14)19-16)20-18-11-10-13-6-2-1-3-7-13/h1-9,12,18-19H,10-11H2,(H,20,21)
InChIKeyZADPZHMTSFEZGE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds5

About N'-(2-phenylethyl)-1H-indole-2-carbohydrazide

N'-(2-phenylethyl)-1H-indole-2-carbohydrazide (PubChem CID 155552578) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-(2-phenylethyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylethyl)-1H-indole-2-carbohydrazide
PubChem CID155552578
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN'-(2-phenylethyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNCCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O/c21-17(16-12-14-8-4-5-9-15(14)19-16)20-18-11-10-13-6-2-1-3-7-13/h1-9,12,18-19H,10-11H2,(H,20,21)
InChIKeyZADPZHMTSFEZGE-UHFFFAOYSA-N
XLogP2.64
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(1H-indole-2-carbonylamino)thiourea
CID 29360278
N-[N'-(2-phenylethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70215864
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 163196273
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
(1H-indole-2-carbonylamino)thiourea
CID 15483527
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-1H-indole-2-carbohydrazide?
The IUPAC name of N'-(2-phenylethyl)-1H-indole-2-carbohydrazide (CID 155552578) is N'-(2-phenylethyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenylethyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-(2-phenylethyl)-1H-indole-2-carbohydrazide is O=C(NNCCc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N'-(2-phenylethyl)-1H-indole-2-carbohydrazide?
The InChIKey is ZADPZHMTSFEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(16-12-14-8-4-5-9-15(14)19-16)20-18-11-10-13-6-2-1-3-7-13/h1-9,12,18-19H,10-11H2,(H,20,21).
What are the key properties of N'-(2-phenylethyl)-1H-indole-2-carbohydrazide?
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide has a molecular weight of 279.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 155552578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).