2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone

C18H20FNO — CID 63568085

IUPAC2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)c2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20(3)17-6-4-5-16(19)11-17/h4-11,13H,12H2,1-3H3
InChIKeyBZGVZQZWZKZXTD-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.27
Rot. Bonds5

About 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone

2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63568085) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63568085
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(C)c2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20(3)17-6-4-5-16(19)11-17/h4-11,13H,12H2,1-3H3
InChIKeyBZGVZQZWZKZXTD-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63567372
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone (CID 63568085) is 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN(C)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is BZGVZQZWZKZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20(3)17-6-4-5-16(19)11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 285.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63568085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).