[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone

C22H15FN2O2 — CID 175995971

IUPAC[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2c(-c3cc4ccccc4o3)cncc21
InChIInChI=1S/C22H15FN2O2/c23-18-7-3-2-6-16(18)22(26)25-10-9-15-17(12-24-13-19(15)25)21-11-14-5-1-4-8-20(14)27-21/h1-8,11-13H,9-10H2
InChIKeyZJQQAGZIEXYKQI-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.84
Rot. Bonds2

About [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone

[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 175995971) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone
PubChem CID175995971
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2c(-c3cc4ccccc4o3)cncc21
InChIInChI=1S/C22H15FN2O2/c23-18-7-3-2-6-16(18)22(26)25-10-9-15-17(12-24-13-19(15)25)21-11-14-5-1-4-8-20(14)27-21/h1-8,11-13H,9-10H2
InChIKeyZJQQAGZIEXYKQI-UHFFFAOYSA-N
XLogP4.84
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone (CID 175995971) is [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCc2c(-c3cc4ccccc4o3)cncc21.
What is the InChIKey of [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is ZJQQAGZIEXYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-18-7-3-2-6-16(18)22(26)25-10-9-15-17(12-24-13-19(15)25)21-11-14-5-1-4-8-20(14)27-21/h1-8,11-13H,9-10H2.
What are the key properties of [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone?
[4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 358.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 175995971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).