(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one

C16H11FN2O5 — CID 92502316

IUPAC(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11FN2O5/c17-10-3-6-13-12(7-10)16(22,15(21)18-13)8-14(20)9-1-4-11(5-2-9)19(23)24/h1-7,22H,8H2,(H,18,21)/t16-/m1/s1
InChIKeyKTHMAQRPIHGIOP-MRXNPFEDSA-N
MW330.27 g/mol
LogP2.15
Rot. Bonds4

About (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one

(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 92502316) has the molecular formula C16H11FN2O5 and a molecular weight of 330.27 g/mol. Its IUPAC name is (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID92502316
Molecular FormulaC16H11FN2O5
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11FN2O5/c17-10-3-6-13-12(7-10)16(22,15(21)18-13)8-14(20)9-1-4-11(5-2-9)19(23)24/h1-7,22H,8H2,(H,18,21)/t16-/m1/s1
InChIKeyKTHMAQRPIHGIOP-MRXNPFEDSA-N
XLogP2.15
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 2898684
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
CID 2949052
N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
CID 171390330
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1H-indol-2-one
CID 2966203
3-hydroxy-5-nitro-3-(nitromethyl)-1H-indol-2-one
CID 72709585
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2965858
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849

Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one (CID 92502316) is (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one is O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is KTHMAQRPIHGIOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H11FN2O5/c17-10-3-6-13-12(7-10)16(22,15(21)18-13)8-14(20)9-1-4-11(5-2-9)19(23)24/h1-7,22H,8H2,(H,18,21)/t16-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one?
(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 330.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 92502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).