2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone

C17H12FNO2 — CID 114736267

IUPAC2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H12FNO2/c18-13-3-1-2-12-9-15(21-17(12)13)16(20)11-4-5-14-10(8-11)6-7-19-14/h1-5,8-9,19H,6-7H2
InChIKeySPHOMZQHIXPHTJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.77
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone

2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114736267) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114736267
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H12FNO2/c18-13-3-1-2-12-9-15(21-17(12)13)16(20)11-4-5-14-10(8-11)6-7-19-14/h1-5,8-9,19H,6-7H2
InChIKeySPHOMZQHIXPHTJ-UHFFFAOYSA-N
XLogP3.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
CID 116554096
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone (CID 114736267) is 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone is O=C(c1ccc2c(c1)CCN2)c1cc2cccc(F)c2o1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is SPHOMZQHIXPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-3-1-2-12-9-15(21-17(12)13)16(20)11-4-5-14-10(8-11)6-7-19-14/h1-5,8-9,19H,6-7H2.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone?
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 281.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).