1-(2-amino-5-fluorophenyl)-2-phenylethanone

C14H12FNO — CID 1419064

IUPAC1-(2-amino-5-fluorophenyl)-2-phenylethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C14H12FNO/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2
InChIKeyYPYITVHBZLLQRZ-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.83
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-phenylethanone

1-(2-amino-5-fluorophenyl)-2-phenylethanone (PubChem CID 1419064) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-phenylethanone
PubChem CID1419064
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name1-(2-amino-5-fluorophenyl)-2-phenylethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C14H12FNO/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2
InChIKeyYPYITVHBZLLQRZ-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluorophenyl)-2-phenylethanone with MolForge

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

Launch Full Analysis

Related Compounds

Nepafenac
CID 151075
2'-Aminoacetophenone
CID 11086
Anthranilamide
CID 6942
2-Amino-5-chlorobenzophenone
CID 12870
Acridone
CID 2015
1-Aminoanthraquinone
CID 6710
3'-Aminoacetophenone
CID 7417
1,5-Diaminoanthraquinone
CID 8513
2-Aminobenzaldehyde
CID 68255
2-Amino-5-chloro-2'-fluorobenzophenone
CID 69912
4-Aminobenzophenone
CID 14346
2-Methylquinolin-4-ol
CID 69089

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-phenylethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-phenylethanone (CID 1419064) is 1-(2-amino-5-fluorophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-phenylethanone is Nc1ccc(F)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-phenylethanone?
The InChIKey is YPYITVHBZLLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-phenylethanone?
1-(2-amino-5-fluorophenyl)-2-phenylethanone has a molecular weight of 229.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-phenylethanone is sourced from PubChem (CID 1419064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).