1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one

C20H24FNO2 — CID 110177830

IUPAC1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)CCNC(C)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO2/c1-13-4-5-14(2)18(12-13)19(23)10-11-22-15(3)20(24)16-6-8-17(21)9-7-16/h4-9,12,15,20,22,24H,10-11H2,1-3H3
InChIKeyNNGKHXVEQMHKFC-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.73
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one

1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one (PubChem CID 110177830) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
PubChem CID110177830
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)CCNC(C)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO2/c1-13-4-5-14(2)18(12-13)19(23)10-11-22-15(3)20(24)16-6-8-17(21)9-7-16/h4-9,12,15,20,22,24H,10-11H2,1-3H3
InChIKeyNNGKHXVEQMHKFC-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
CID 82120744
4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
CID 111428870
1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
1-(4-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]propan-1-ol
CID 111422148
4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
CID 46432968
(2S)-2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119359794
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one (CID 110177830) is 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one is Cc1ccc(C)c(C(=O)CCNC(C)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one?
The InChIKey is NNGKHXVEQMHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-13-4-5-14(2)18(12-13)19(23)10-11-22-15(3)20(24)16-6-8-17(21)9-7-16/h4-9,12,15,20,22,24H,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one?
1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one has a molecular weight of 329.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one is sourced from PubChem (CID 110177830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).