(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C20H14ClNO4 — CID 41368279

IUPAC(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-9-10-18(26-17)16(23)11-20(25)14-3-1-2-4-15(14)22-19(20)24/h1-10,25H,11H2,(H,22,24)/t20-/m0/s1
InChIKeyQMDMVTVKANLMEV-FQEVSTJZSA-N
MW367.79 g/mol
LogP4.01
Rot. Bonds4

About (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one

(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 41368279) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID41368279
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-9-10-18(26-17)16(23)11-20(25)14-3-1-2-4-15(14)22-19(20)24/h1-10,25H,11H2,(H,22,24)/t20-/m0/s1
InChIKeyQMDMVTVKANLMEV-FQEVSTJZSA-N
XLogP4.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92733862
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 66523118
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(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
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
3-(3-chlorophenyl)-4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]-2H-oxadiazol-3-ium-5-one
CID 10596275
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 46360607
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 41368279) is (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is QMDMVTVKANLMEV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-9-10-18(26-17)16(23)11-20(25)14-3-1-2-4-15(14)22-19(20)24/h1-10,25H,11H2,(H,22,24)/t20-/m0/s1.
What are the key properties of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 367.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 41368279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).