5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one

C19H14ClNO5 — CID 46360607

IUPAC5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc2cc(C(=O)CC3(O)C(=O)Nc4ccc(Cl)cc43)oc12
InChIInChI=1S/C19H14ClNO5/c1-25-15-4-2-3-10-7-16(26-17(10)15)14(22)9-19(24)12-8-11(20)5-6-13(12)21-18(19)23/h2-8,24H,9H2,1H3,(H,21,23)
InChIKeyFISNQTJJCRAWTH-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one

5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 46360607) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
PubChem CID46360607
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC Name5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc2cc(C(=O)CC3(O)C(=O)Nc4ccc(Cl)cc43)oc12
InChIInChI=1S/C19H14ClNO5/c1-25-15-4-2-3-10-7-16(26-17(10)15)14(22)9-19(24)12-8-11(20)5-6-13(12)21-18(19)23/h2-8,24H,9H2,1H3,(H,21,23)
InChIKeyFISNQTJJCRAWTH-UHFFFAOYSA-N
XLogP3.51
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one with MolForge

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Related Compounds

(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92733862
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 957686
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one (CID 46360607) is 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one is COc1cccc2cc(C(=O)CC3(O)C(=O)Nc4ccc(Cl)cc43)oc12.
What is the InChIKey of 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is FISNQTJJCRAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5/c1-25-15-4-2-3-10-7-16(26-17(10)15)14(22)9-19(24)12-8-11(20)5-6-13(12)21-18(19)23/h2-8,24H,9H2,1H3,(H,21,23).
What are the key properties of 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 371.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 46360607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).