1-(2-acetyl-3-aminophenyl)-2-anilinoethanone

C16H16N2O2 — CID 163542838

IUPAC1-(2-acetyl-3-aminophenyl)-2-anilinoethanone
SMILESCC(=O)c1c(N)cccc1C(=O)CNc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-11(19)16-13(8-5-9-14(16)17)15(20)10-18-12-6-3-2-4-7-12/h2-9,18H,10,17H2,1H3
InChIKeyFCOQEPDBZWBXON-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone

1-(2-acetyl-3-aminophenyl)-2-anilinoethanone (PubChem CID 163542838) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone.

Molecular Properties

Compound Name1-(2-acetyl-3-aminophenyl)-2-anilinoethanone
PubChem CID163542838
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2-acetyl-3-aminophenyl)-2-anilinoethanone
SMILESCC(=O)c1c(N)cccc1C(=O)CNc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-11(19)16-13(8-5-9-14(16)17)15(20)10-18-12-6-3-2-4-7-12/h2-9,18H,10,17H2,1H3
InChIKeyFCOQEPDBZWBXON-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone 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-(2-acetyl-3-aminophenyl)-2-anilinoethanone?
The IUPAC name of 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone (CID 163542838) is 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone.
What is the SMILES notation for 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone?
The canonical SMILES for 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone is CC(=O)c1c(N)cccc1C(=O)CNc1ccccc1.
What is the InChIKey of 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone?
The InChIKey is FCOQEPDBZWBXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(19)16-13(8-5-9-14(16)17)15(20)10-18-12-6-3-2-4-7-12/h2-9,18H,10,17H2,1H3.
What are the key properties of 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone?
1-(2-acetyl-3-aminophenyl)-2-anilinoethanone has a molecular weight of 268.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-aminophenyl)-2-anilinoethanone is sourced from PubChem (CID 163542838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).