2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one

C21H22FNO4 — CID 154646222

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H22FNO4/c1-21(2,20(25)23-11-13-26-14-12-23)27-18-9-5-16(6-10-18)19(24)15-3-7-17(22)8-4-15/h3-10H,11-14H2,1-2H3
InChIKeyZCZIOAZZSQLPJT-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one

2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 154646222) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID154646222
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H22FNO4/c1-21(2,20(25)23-11-13-26-14-12-23)27-18-9-5-16(6-10-18)19(24)15-3-7-17(22)8-4-15/h3-10H,11-14H2,1-2H3
InChIKeyZCZIOAZZSQLPJT-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
1-[2-(4-fluorophenoxy)-2-methylpropanoyl]-1,4-diazepan-5-one
CID 62046418
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
2-[4-(4-chlorobenzoyl)phenoxy]-1-(4,4-dimethylpiperazin-4-ium-1-yl)-2-methylpropan-1-one iodide
CID 165164047
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 38574818
N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
CID 86911809
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959823
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 167632774
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43403393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one (CID 154646222) is 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one is CC(C)(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZCZIOAZZSQLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-21(2,20(25)23-11-13-26-14-12-23)27-18-9-5-16(6-10-18)19(24)15-3-7-17(22)8-4-15/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one?
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 371.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 154646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).