1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one

C18H20FNO — CID 4249451

IUPAC1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
SMILESCC(C)c1ccc(NCCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3
InChIKeyBBBWJMAGFFSLCI-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one

1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one (PubChem CID 4249451) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
PubChem CID4249451
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
SMILESCC(C)c1ccc(NCCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3
InChIKeyBBBWJMAGFFSLCI-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593664
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one (CID 4249451) is 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one is CC(C)c1ccc(NCCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one?
The InChIKey is BBBWJMAGFFSLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one?
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one has a molecular weight of 285.36 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one is sourced from PubChem (CID 4249451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).