(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one

C17H14ClNO3 — CID 957683

IUPAC(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one
SMILESC[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO3/c1-10(15(20)11-5-3-2-4-6-11)17(22)13-9-12(18)7-8-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)/t10-,17+/m1/s1
InChIKeyORTHIZOGJSFWBH-QGHHPUGFSA-N
MW315.76 g/mol
LogP3.00
Rot. Bonds3

About (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one

(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one (PubChem CID 957683) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one
PubChem CID957683
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one
SMILESC[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO3/c1-10(15(20)11-5-3-2-4-6-11)17(22)13-9-12(18)7-8-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)/t10-,17+/m1/s1
InChIKeyORTHIZOGJSFWBH-QGHHPUGFSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
CID 138968426
(3R)-5-chloro-3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
CID 6957295
1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
CID 7334078
2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide
CID 66547806
CID 139092820
CID 139092820
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one?
The IUPAC name of (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one (CID 957683) is (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one.
What is the SMILES notation for (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one?
The canonical SMILES for (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one is C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one?
The InChIKey is ORTHIZOGJSFWBH-QGHHPUGFSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10(15(20)11-5-3-2-4-6-11)17(22)13-9-12(18)7-8-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)/t10-,17+/m1/s1.
What are the key properties of (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one?
(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one has a molecular weight of 315.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one is sourced from PubChem (CID 957683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).