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

C20H13ClFNO4 — CID 92733862

IUPAC(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H13ClFNO4/c21-12-3-1-11(2-4-12)17-7-8-18(27-17)16(24)10-20(26)14-9-13(22)5-6-15(14)23-19(20)25/h1-9,26H,10H2,(H,23,25)/t20-/m0/s1
InChIKeyXEMFHWFXWLFASG-FQEVSTJZSA-N
MW385.78 g/mol
LogP4.15
Rot. Bonds4

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

(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 92733862) has the molecular formula C20H13ClFNO4 and a molecular weight of 385.78 g/mol. Its IUPAC name is (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID92733862
Molecular FormulaC20H13ClFNO4
Molecular Weight385.78 g/mol
Exact Mass385.05
IUPAC Name(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H13ClFNO4/c21-12-3-1-11(2-4-12)17-7-8-18(27-17)16(24)10-20(26)14-9-13(22)5-6-15(14)23-19(20)25/h1-9,26H,10H2,(H,23,25)/t20-/m0/s1
InChIKeyXEMFHWFXWLFASG-FQEVSTJZSA-N
XLogP4.15
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 41368279
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2965858
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(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
5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 46360607
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
(3R)-3-(3,3-dimethoxy-2-oxopropyl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 102435621
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (CID 92733862) is (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is XEMFHWFXWLFASG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H13ClFNO4/c21-12-3-1-11(2-4-12)17-7-8-18(27-17)16(24)10-20(26)14-9-13(22)5-6-15(14)23-19(20)25/h1-9,26H,10H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 385.78 g/mol, XLogP of 4.15, 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]-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 92733862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).