2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone

C23H19F3N2O3 — CID 158154885

IUPAC2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
SMILESCC(=O)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.CC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H11F2NO2.C8H8FNO/c1-9(19)12-6-10(2-4-13(12)17)7-15(20)14-5-3-11(16)8-18-14;1-5(11)7-4-6(10)2-3-8(7)9/h2-6,8H,7H2,1H3;2-4H,10H2,1H3
InChIKeyFVOCQGBCOFXUBE-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.60
Rot. Bonds5

About 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone

2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone (PubChem CID 158154885) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
PubChem CID158154885
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
SMILESCC(=O)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.CC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H11F2NO2.C8H8FNO/c1-9(19)12-6-10(2-4-13(12)17)7-15(20)14-5-3-11(16)8-18-14;1-5(11)7-4-6(10)2-3-8(7)9/h2-6,8H,7H2,1H3;2-4H,10H2,1H3
InChIKeyFVOCQGBCOFXUBE-UHFFFAOYSA-N
XLogP4.60
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158152074
1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone
CID 116605271
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
2-(3-acetyl-4-chlorophenyl)-1-(5-prop-1-ynyl-2-pyridinyl)ethanone
CID 160971072
2-[3-(8-amino-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 159270180
2-[2-(3-acetyl-4-fluorophenyl)acetyl]benzoic acid
CID 157251929
2-[3-[(3R,6R)-5-amino-6-(cyclopropylmethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 162057849
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate
CID 23114640
2-[3-[(1R,5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158456964

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone (CID 158154885) is 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone is CC(=O)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.CC(=O)c1cc(N)ccc1F.
What is the InChIKey of 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone?
The InChIKey is FVOCQGBCOFXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2.C8H8FNO/c1-9(19)12-6-10(2-4-13(12)17)7-15(20)14-5-3-11(16)8-18-14;1-5(11)7-4-6(10)2-3-8(7)9/h2-6,8H,7H2,1H3;2-4H,10H2,1H3.
What are the key properties of 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone?
2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone has a molecular weight of 428.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone is sourced from PubChem (CID 158154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).