N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide

C17H13N3O4 — CID 54771802

IUPACN-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1
InChIInChI=1S/C17H13N3O4/c1-10-2-4-11(5-3-10)19-17(22)16(21)14-9-18-15-8-12(20(23)24)6-7-13(14)15/h2-9,18H,1H3,(H,19,22)
InChIKeyVTDBZRRPSAXNIF-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.21
Rot. Bonds4

About N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide

N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 54771802) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID54771802
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1
InChIInChI=1S/C17H13N3O4/c1-10-2-4-11(5-3-10)19-17(22)16(21)14-9-18-15-8-12(20(23)24)6-7-13(14)15/h2-9,18H,1H3,(H,19,22)
InChIKeyVTDBZRRPSAXNIF-UHFFFAOYSA-N
XLogP3.21
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide (CID 54771802) is N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VTDBZRRPSAXNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-10-2-4-11(5-3-10)19-17(22)16(21)14-9-18-15-8-12(20(23)24)6-7-13(14)15/h2-9,18H,1H3,(H,19,22).
What are the key properties of N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide?
N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 323.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(6-nitro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 54771802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).