1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone

C14H11F2NO — CID 148613451

IUPAC1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1cccc(C(=O)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C14H11F2NO/c15-10-6-4-9(5-7-10)8-13(18)11-2-1-3-12(17)14(11)16/h1-7H,8,17H2
InChIKeyNEVGMQZPHMSZMG-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.97
Rot. Bonds3

About 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone

1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 148613451) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID148613451
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1cccc(C(=O)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C14H11F2NO/c15-10-6-4-9(5-7-10)8-13(18)11-2-1-3-12(17)14(11)16/h1-7H,8,17H2
InChIKeyNEVGMQZPHMSZMG-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone 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

1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-amino-2-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 116604431
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
ethyl 3-amino-2-fluorobenzoate
CID 46311258
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone (CID 148613451) is 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone is Nc1cccc(C(=O)Cc2ccc(F)cc2)c1F.
What is the InChIKey of 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is NEVGMQZPHMSZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-10-6-4-9(5-7-10)8-13(18)11-2-1-3-12(17)14(11)16/h1-7H,8,17H2.
What are the key properties of 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone?
1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 247.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 148613451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).