7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide

C17H15N3O3 — CID 2823659

IUPAC7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)
InChIKeyVXDJRTJBOJFUOC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.05
Rot. Bonds5

About 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide

7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 2823659) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID2823659
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)
InChIKeyVXDJRTJBOJFUOC-UHFFFAOYSA-N
XLogP3.05
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Devazepide
CID 443375
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
[3H]Devazepide
CID 59751
N-Phenyl-1H-indole-2-carboxamide
CID 589138
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
(4-ethylpiperazin-1-yl)(1H-indol-2-yl)methanone
CID 11821243
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-nitro-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 11814015
N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 12627221
N-Benzyl,N-methyl-1H-indole-2-carboxamide
CID 23020609
N-(3-Phenylpropyl)-1H-indole-2-carboxamide
CID 27647057

Frequently Asked Questions

What is the IUPAC name of 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 2823659) is 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide is O=C(NCCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is VXDJRTJBOJFUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21).
What are the key properties of 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide?
7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 2823659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).