2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide

C21H23FN2O4 — CID 132765746

IUPAC2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
SMILESCc1cccc(C(=O)N2CCOC(COc3ccc(F)cc3)(CC(N)=O)C2)c1
InChIInChI=1S/C21H23FN2O4/c1-15-3-2-4-16(11-15)20(26)24-9-10-28-21(13-24,12-19(23)25)14-27-18-7-5-17(22)6-8-18/h2-8,11H,9-10,12-14H2,1H3,(H2,23,25)
InChIKeyQCSMFFYMYIENHR-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide

2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide (PubChem CID 132765746) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
PubChem CID132765746
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
SMILESCc1cccc(C(=O)N2CCOC(COc3ccc(F)cc3)(CC(N)=O)C2)c1
InChIInChI=1S/C21H23FN2O4/c1-15-3-2-4-16(11-15)20(26)24-9-10-28-21(13-24,12-19(23)25)14-27-18-7-5-17(22)6-8-18/h2-8,11H,9-10,12-14H2,1H3,(H2,23,25)
InChIKeyQCSMFFYMYIENHR-UHFFFAOYSA-N
XLogP2.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
CID 132780206
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254
2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
CID 132766305
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[(2R)-4-(3-chlorobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124957656
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
2-[4-benzoyl-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 132767864
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947580
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947579
2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132774191
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide (CID 132765746) is 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide is Cc1cccc(C(=O)N2CCOC(COc3ccc(F)cc3)(CC(N)=O)C2)c1.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide?
The InChIKey is QCSMFFYMYIENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-15-3-2-4-16(11-15)20(26)24-9-10-28-21(13-24,12-19(23)25)14-27-18-7-5-17(22)6-8-18/h2-8,11H,9-10,12-14H2,1H3,(H2,23,25).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide?
2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide has a molecular weight of 386.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 132765746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).