2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide

C17H15N3O3 — CID 135016971

IUPAC2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H15N3O3/c1-10-3-5-12(6-4-10)19-17(21)16-11(2)18-15-8-7-13(20(22)23)9-14(15)16/h3-9,18H,1-2H3,(H,19,21)
InChIKeyABELMRNSHKWRHQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.95
Rot. Bonds3

About 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide

2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide (PubChem CID 135016971) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
PubChem CID135016971
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H15N3O3/c1-10-3-5-12(6-4-10)19-17(21)16-11(2)18-15-8-7-13(20(22)23)9-14(15)16/h3-9,18H,1-2H3,(H,19,21)
InChIKeyABELMRNSHKWRHQ-UHFFFAOYSA-N
XLogP3.95
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.95
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

2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 135016973
4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
CID 176509093
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
3-methyl-6-nitro-9H-carbazole
CID 58160212
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
2,4,6-trihydroxy-N-(4-methylphenyl)-3-nitrobenzamide
CID 5272622
N-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 135622191
4-bromo-N-[(E)-(2-methyl-5-nitro-1H-indol-3-yl)methylideneamino]benzamide
CID 135571937
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide (CID 135016971) is 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide?
The InChIKey is ABELMRNSHKWRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-3-5-12(6-4-10)19-17(21)16-11(2)18-15-8-7-13(20(22)23)9-14(15)16/h3-9,18H,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide?
2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide is sourced from PubChem (CID 135016971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).