(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

C22H17ClN2O3 — CID 95244709

IUPAC(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H17ClN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m0/s1
InChIKeyJJOIKBZRLCEZOR-QFIPXVFZSA-N
MW392.84 g/mol
LogP3.74
Rot. Bonds5

About (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (PubChem CID 95244709) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
PubChem CID95244709
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H17ClN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m0/s1
InChIKeyJJOIKBZRLCEZOR-QFIPXVFZSA-N
XLogP3.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The IUPAC name of (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (CID 95244709) is (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.
What is the SMILES notation for (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The canonical SMILES for (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is O=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccccn1.
What is the InChIKey of (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The InChIKey is JJOIKBZRLCEZOR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m0/s1.
What are the key properties of (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one has a molecular weight of 392.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is sourced from PubChem (CID 95244709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).