1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one

C22H25F2NO2 — CID 70593850

IUPAC1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one
SMILESO=C(CCCNC1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1O
InChIInChI=1S/C22H25F2NO2/c23-17-7-3-15(4-8-17)16-5-10-19(11-6-16)25-13-1-2-21(26)20-12-9-18(24)14-22(20)27/h3-4,7-9,12,14,16,19,25,27H,1-2,5-6,10-11,13H2
InChIKeyLHFJNCXUJGHXGM-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.95
Rot. Bonds7

About 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one

1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one (PubChem CID 70593850) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one
PubChem CID70593850
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one
SMILESO=C(CCCNC1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1O
InChIInChI=1S/C22H25F2NO2/c23-17-7-3-15(4-8-17)16-5-10-19(11-6-16)25-13-1-2-21(26)20-12-9-18(24)14-22(20)27/h3-4,7-9,12,14,16,19,25,27H,1-2,5-6,10-11,13H2
InChIKeyLHFJNCXUJGHXGM-UHFFFAOYSA-N
XLogP4.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one?
The IUPAC name of 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one (CID 70593850) is 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one.
What is the SMILES notation for 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one?
The canonical SMILES for 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one is O=C(CCCNC1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1O.
What is the InChIKey of 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one?
The InChIKey is LHFJNCXUJGHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c23-17-7-3-15(4-8-17)16-5-10-19(11-6-16)25-13-1-2-21(26)20-12-9-18(24)14-22(20)27/h3-4,7-9,12,14,16,19,25,27H,1-2,5-6,10-11,13H2.
What are the key properties of 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one?
1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one has a molecular weight of 373.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one is sourced from PubChem (CID 70593850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).