[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone

C21H17F2NO2 — CID 142171196

IUPAC[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H17F2NO2/c1-13-3-10-20(26-2)17(11-13)21(25)14-4-7-16(8-5-14)24-19-9-6-15(22)12-18(19)23/h3-12,24H,1-2H3
InChIKeyYRZFXFRTGMMEPH-UHFFFAOYSA-N
MW353.37 g/mol
LogP5.26
Rot. Bonds5

About [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone

[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 142171196) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID142171196
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H17F2NO2/c1-13-3-10-20(26-2)17(11-13)21(25)14-4-7-16(8-5-14)24-19-9-6-15(22)12-18(19)23/h3-12,24H,1-2H3
InChIKeyYRZFXFRTGMMEPH-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
CID 11465633
3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
CID 58677526
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxyphenyl]methyl acetate
CID 58677687

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone (CID 142171196) is [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1.
What is the InChIKey of [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is YRZFXFRTGMMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c1-13-3-10-20(26-2)17(11-13)21(25)14-4-7-16(8-5-14)24-19-9-6-15(22)12-18(19)23/h3-12,24H,1-2H3.
What are the key properties of [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone?
[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 353.37 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 142171196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).