2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide

C20H24FN3O2 — CID 90516017

IUPAC2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)18-13-20(26)24(14-23-18)11-10-22-19(25)12-15-4-2-1-3-5-15/h6-9,13-15H,1-5,10-12H2,(H,22,25)
InChIKeyHKQQLEQIRGOLJO-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide

2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide (PubChem CID 90516017) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
PubChem CID90516017
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)18-13-20(26)24(14-23-18)11-10-22-19(25)12-15-4-2-1-3-5-15/h6-9,13-15H,1-5,10-12H2,(H,22,25)
InChIKeyHKQQLEQIRGOLJO-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119113
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
2-(4-bromophenyl)-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516071
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121461
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]cyclopropanesulfonamide
CID 56764800
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
2-(2,3-dimethylphenoxy)-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516157
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide
CID 18569732

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide (CID 90516017) is 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide is O=C(CC1CCCCC1)NCCn1cnc(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The InChIKey is HKQQLEQIRGOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)18-13-20(26)24(14-23-18)11-10-22-19(25)12-15-4-2-1-3-5-15/h6-9,13-15H,1-5,10-12H2,(H,22,25).
What are the key properties of 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 90516017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).