1-[4-(2,4-difluoroanilino)phenyl]ethanone

C14H11F2NO — CID 82536666

IUPAC1-[4-(2,4-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11F2NO/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyNINPNODJNXQYLL-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.91
Rot. Bonds3

About 1-[4-(2,4-difluoroanilino)phenyl]ethanone

1-[4-(2,4-difluoroanilino)phenyl]ethanone (PubChem CID 82536666) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-[4-(2,4-difluoroanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluoroanilino)phenyl]ethanone
PubChem CID82536666
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-[4-(2,4-difluoroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11F2NO/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyNINPNODJNXQYLL-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
6-(4-acetylanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109164503
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
2-N-(4-acetylphenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143805
2-N-(4-acetylphenyl)-6-N-(2,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101020
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
CID 142171196
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
CID 58677526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluoroanilino)phenyl]ethanone?
The IUPAC name of 1-[4-(2,4-difluoroanilino)phenyl]ethanone (CID 82536666) is 1-[4-(2,4-difluoroanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,4-difluoroanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,4-difluoroanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[4-(2,4-difluoroanilino)phenyl]ethanone?
The InChIKey is NINPNODJNXQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3.
What are the key properties of 1-[4-(2,4-difluoroanilino)phenyl]ethanone?
1-[4-(2,4-difluoroanilino)phenyl]ethanone has a molecular weight of 247.24 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluoroanilino)phenyl]ethanone is sourced from PubChem (CID 82536666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).