2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone

C20H16ClFN2O2 — CID 95922537

IUPAC2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
SMILESCCc1cc(OCC(=O)c2ccc(F)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16ClFN2O2/c1-2-17-11-19(24-20(23-17)14-4-3-5-15(21)10-14)26-12-18(25)13-6-8-16(22)9-7-13/h3-11H,2,12H2,1H3
InChIKeyMKKPFLQLIBUZIU-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.76
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone

2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone (PubChem CID 95922537) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
PubChem CID95922537
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
SMILESCCc1cc(OCC(=O)c2ccc(F)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16ClFN2O2/c1-2-17-11-19(24-20(23-17)14-4-3-5-15(21)10-14)26-12-18(25)13-6-8-16(22)9-7-13/h3-11H,2,12H2,1H3
InChIKeyMKKPFLQLIBUZIU-UHFFFAOYSA-N
XLogP4.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
CID 95923219
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
4-[(3,4-difluorophenyl)methoxy]-6-ethyl-2-(4-fluorophenyl)pyrimidine
CID 95922959
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 1062023
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95922508
1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663
methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
CID 90109881
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone (CID 95922537) is 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone is CCc1cc(OCC(=O)c2ccc(F)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The InChIKey is MKKPFLQLIBUZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-2-17-11-19(24-20(23-17)14-4-3-5-15(21)10-14)26-12-18(25)13-6-8-16(22)9-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone has a molecular weight of 370.81 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 95922537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).