1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

C22H19NO4 — CID 2945500

IUPAC1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C22H19NO4/c1-15-11-12-20(27-15)19(24)13-22(26)17-9-5-6-10-18(17)23(21(22)25)14-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3
InChIKeyFNBJXTAORDMJSI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.60
Rot. Bonds5

About 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (PubChem CID 2945500) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
PubChem CID2945500
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C22H19NO4/c1-15-11-12-20(27-15)19(24)13-22(26)17-9-5-6-10-18(17)23(21(22)25)14-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3
InChIKeyFNBJXTAORDMJSI-UHFFFAOYSA-N
XLogP3.60
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 3481662
Benzofuran-2-yl(indolin-1-yl)methanone
CID 780029
3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2955658
2,3-Dihydroindol-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 7958162
(3-Methyl-1-benzofuran-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16293355
ethyl {3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 667132
1-(4-chlorobenzyl)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2914136
1-(2-chlorobenzyl)-3-[2-(2-furyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2916185
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2940121
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3798162
4'-hydroxy-3'-[(5-methylfuran-2-yl)carbonyl]-1'-[3-(morpholin-4-yl)propyl]-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
CID 663621
1-ethyl-4'-hydroxy-3'-[(5-methylfuran-2-yl)carbonyl]-1'-[3-(morpholin-4-yl)propyl]spiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
CID 663990

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (CID 2945500) is 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1.
What is the InChIKey of 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The InChIKey is FNBJXTAORDMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-11-12-20(27-15)19(24)13-22(26)17-9-5-6-10-18(17)23(21(22)25)14-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one has a molecular weight of 361.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 2945500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).