5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one

C23H19ClN2O3 — CID 2950917

IUPAC5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C23H19ClN2O3/c24-18-6-7-20-19(14-18)23(29,15-21(27)17-8-11-25-12-9-17)22(28)26(20)13-10-16-4-2-1-3-5-16/h1-9,11-12,14,29H,10,13,15H2
InChIKeyZFBMPWFGLFUAAX-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.78
Rot. Bonds6

About 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one

5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one (PubChem CID 2950917) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one
PubChem CID2950917
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C23H19ClN2O3/c24-18-6-7-20-19(14-18)23(29,15-21(27)17-8-11-25-12-9-17)22(28)26(20)13-10-16-4-2-1-3-5-16/h1-9,11-12,14,29H,10,13,15H2
InChIKeyZFBMPWFGLFUAAX-UHFFFAOYSA-N
XLogP3.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1-(2-phenylethyl)indol-2-one
CID 2950908
(3S)-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 7312891
(3R)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1257557
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 40875594
(3R)-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7013982
5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-prop-2-enylindol-2-one
CID 4905731
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 7106116
5-chloro-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2983677
(3S)-5-chloro-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1258886
(3S)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 124536071
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2056687

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one (CID 2950917) is 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one is O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccncc1.
What is the InChIKey of 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one?
The InChIKey is ZFBMPWFGLFUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-18-6-7-20-19(14-18)23(29,15-21(27)17-8-11-25-12-9-17)22(28)26(20)13-10-16-4-2-1-3-5-16/h1-9,11-12,14,29H,10,13,15H2.
What are the key properties of 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one?
5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one has a molecular weight of 406.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 2950917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).