(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

C28H23Cl2NO3 — CID 161378246

IUPAC(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C28H23Cl2NO3/c29-21-7-3-5-20(15-21)26(32)17-28(34)24-8-1-2-9-25(24)31(27(28)33)14-4-6-18-10-11-19-12-13-22(30)16-23(18)19/h1-3,5,7-10,12-13,15-16,34H,4,6,11,14,17H2/t28-/m1/s1
InChIKeyPFJYCERZHZQEGJ-MUUNZHRXSA-N
MW492.40 g/mol
LogP6.22
Rot. Bonds7

About (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 161378246) has the molecular formula C28H23Cl2NO3 and a molecular weight of 492.40 g/mol. Its IUPAC name is (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID161378246
Molecular FormulaC28H23Cl2NO3
Molecular Weight492.40 g/mol
Exact Mass491.11
IUPAC Name(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C28H23Cl2NO3/c29-21-7-3-5-20(15-21)26(32)17-28(34)24-8-1-2-9-25(24)31(27(28)33)14-4-6-18-10-11-19-12-13-22(30)16-23(18)19/h1-3,5,7-10,12-13,15-16,34H,4,6,11,14,17H2/t28-/m1/s1
InChIKeyPFJYCERZHZQEGJ-MUUNZHRXSA-N
XLogP6.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.40
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one
CID 161078276
(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-phenacylindol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-phenacylindol-2-one
CID 161378242
(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 161036183
(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
CID 156568807
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 41339128
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(3-phenylpropyl)indol-2-one
CID 3819208
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 2977337
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5127971

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 161378246) is (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is O=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is PFJYCERZHZQEGJ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H23Cl2NO3/c29-21-7-3-5-20(15-21)26(32)17-28(34)24-8-1-2-9-25(24)31(27(28)33)14-4-6-18-10-11-19-12-13-22(30)16-23(18)19/h1-3,5,7-10,12-13,15-16,34H,4,6,11,14,17H2/t28-/m1/s1.
What are the key properties of (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 492.40 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 161378246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).