1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone

C16H14N2O — CID 23402126

IUPAC1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
SMILESCC(=O)c1c(N)ccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C16H14N2O/c1-10(19)16-12-9-15(11-5-3-2-4-6-11)18-14(12)8-7-13(16)17/h2-9,18H,17H2,1H3
InChIKeyLCDCZPSOUVZAHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.62
Rot. Bonds2

About 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone

1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone (PubChem CID 23402126) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
PubChem CID23402126
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
SMILESCC(=O)c1c(N)ccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C16H14N2O/c1-10(19)16-12-9-15(11-5-3-2-4-6-11)18-14(12)8-7-13(16)17/h2-9,18H,17H2,1H3
InChIKeyLCDCZPSOUVZAHV-UHFFFAOYSA-N
XLogP3.62
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone 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 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone?
The IUPAC name of 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone (CID 23402126) is 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone?
The canonical SMILES for 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone is CC(=O)c1c(N)ccc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone?
The InChIKey is LCDCZPSOUVZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10(19)16-12-9-15(11-5-3-2-4-6-11)18-14(12)8-7-13(16)17/h2-9,18H,17H2,1H3.
What are the key properties of 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone?
1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone is sourced from PubChem (CID 23402126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).