N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide

C21H17N3O — CID 90732730

IUPACN-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H17N3O/c22-16-11-5-7-13-18(16)24-21(25)20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-20/h1-13,23H,22H2,(H,24,25)
InChIKeyUIXGBEVYMPXZQH-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.67
Rot. Bonds3

About N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide

N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide (PubChem CID 90732730) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
PubChem CID90732730
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H17N3O/c22-16-11-5-7-13-18(16)24-21(25)20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-20/h1-13,23H,22H2,(H,24,25)
InChIKeyUIXGBEVYMPXZQH-UHFFFAOYSA-N
XLogP4.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide 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-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide (CID 90732730) is N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide is Nc1ccccc1NC(=O)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is UIXGBEVYMPXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c22-16-11-5-7-13-18(16)24-21(25)20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-20/h1-13,23H,22H2,(H,24,25).
What are the key properties of N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide?
N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 90732730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).