2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane

C16H17F2NO — CID 169208742

IUPAC2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane
SMILESCC.Nc1cc(CC(=O)c2ccccc2)c(F)cc1F
InChIInChI=1S/C14H11F2NO.C2H6/c15-11-8-12(16)13(17)6-10(11)7-14(18)9-4-2-1-3-5-9;1-2/h1-6,8H,7,17H2;1-2H3
InChIKeyIWHLMUCSSARFRC-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.00
Rot. Bonds3

About 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane

2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane (PubChem CID 169208742) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane.

Molecular Properties

Compound Name2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane
PubChem CID169208742
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane
SMILESCC.Nc1cc(CC(=O)c2ccccc2)c(F)cc1F
InChIInChI=1S/C14H11F2NO.C2H6/c15-11-8-12(16)13(17)6-10(11)7-14(18)9-4-2-1-3-5-9;1-2/h1-6,8H,7,17H2;1-2H3
InChIKeyIWHLMUCSSARFRC-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone
CID 158513452
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
ethane;3-(5-phenacylfuran-2-yl)propanoic acid
CID 143696693
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
methyl (2R)-2-amino-3-(5-amino-2,4-difluorophenyl)propanoate
CID 171238194
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane?
The IUPAC name of 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane (CID 169208742) is 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane.
What is the SMILES notation for 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane?
The canonical SMILES for 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane is CC.Nc1cc(CC(=O)c2ccccc2)c(F)cc1F.
What is the InChIKey of 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane?
The InChIKey is IWHLMUCSSARFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO.C2H6/c15-11-8-12(16)13(17)6-10(11)7-14(18)9-4-2-1-3-5-9;1-2/h1-6,8H,7,17H2;1-2H3.
What are the key properties of 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane?
2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane has a molecular weight of 277.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane is sourced from PubChem (CID 169208742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).