2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone

C17H18FNO — CID 94281141

IUPAC2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-4-7-16(13(3)8-11)19-10-17(20)14-5-6-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3
InChIKeyIXCBVBYKOQWQNJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.05
Rot. Bonds4

About 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone

2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 94281141) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID94281141
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-4-7-16(13(3)8-11)19-10-17(20)14-5-6-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3
InChIKeyIXCBVBYKOQWQNJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023187
1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
CID 94281136

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone (CID 94281141) is 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1ccc(NCC(=O)c2ccc(F)c(C)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is IXCBVBYKOQWQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-4-7-16(13(3)8-11)19-10-17(20)14-5-6-15(18)12(2)9-14/h4-9,19H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 271.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 94281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).