[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone

C21H20FNO4 — CID 70721844

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)oc2c1
InChIInChI=1S/C21H20FNO4/c1-13-17-8-7-16(25-2)11-18(17)27-20(13)21(24)23-9-10-26-19(12-23)14-3-5-15(22)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDOQLEUNRDBCKHH-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.10
Rot. Bonds3

About [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 70721844) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID70721844
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)oc2c1
InChIInChI=1S/C21H20FNO4/c1-13-17-8-7-16(25-2)11-18(17)27-20(13)21(24)23-9-10-26-19(12-23)14-3-5-15(22)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDOQLEUNRDBCKHH-UHFFFAOYSA-N
XLogP4.10
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 70721844) is [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone is COc1ccc2c(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)oc2c1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is DOQLEUNRDBCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-13-17-8-7-16(25-2)11-18(17)27-20(13)21(24)23-9-10-26-19(12-23)14-3-5-15(22)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 369.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 70721844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).