(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone

C22H22FNO2 — CID 10154945

IUPAC(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1
InChIInChI=1S/C22H22FNO2/c1-15-5-4-11-24(15)12-10-18-14-17-13-16(8-9-21(17)26-18)22(25)19-6-2-3-7-20(19)23/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m1/s1
InChIKeyWRJKIXYAASDVFO-OAHLLOKOSA-N
MW351.42 g/mol
LogP4.83
Rot. Bonds5

About (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone

(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (PubChem CID 10154945) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
PubChem CID10154945
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1
InChIInChI=1S/C22H22FNO2/c1-15-5-4-11-24(15)12-10-18-14-17-13-16(8-9-21(17)26-18)22(25)19-6-2-3-7-20(19)23/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m1/s1
InChIKeyWRJKIXYAASDVFO-OAHLLOKOSA-N
XLogP4.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (CID 10154945) is (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1.
What is the InChIKey of (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The InChIKey is WRJKIXYAASDVFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-15-5-4-11-24(15)12-10-18-14-17-13-16(8-9-21(17)26-18)22(25)19-6-2-3-7-20(19)23/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m1/s1.
What are the key properties of (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone has a molecular weight of 351.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is sourced from PubChem (CID 10154945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).