(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one

C27H23ClN2O3 — CID 156568807

IUPAC(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C27H23ClN2O3/c28-20-9-5-7-18(15-20)25(31)16-27(33)22-11-2-4-13-24(22)30(26(27)32)14-6-8-19-17-29-23-12-3-1-10-21(19)23/h1-5,7,9-13,15,17,29,33H,6,8,14,16H2/t27-/m1/s1
InChIKeyZYEBBGRVFZZXLS-HHHXNRCGSA-N
MW458.95 g/mol
LogP5.26
Rot. Bonds7

About (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one

(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one (PubChem CID 156568807) has the molecular formula C27H23ClN2O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
PubChem CID156568807
Molecular FormulaC27H23ClN2O3
Molecular Weight458.95 g/mol
Exact Mass458.14
IUPAC Name(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C27H23ClN2O3/c28-20-9-5-7-18(15-20)25(31)16-27(33)22-11-2-4-13-24(22)30(26(27)32)14-6-8-19-17-29-23-12-3-1-10-21(19)23/h1-5,7,9-13,15,17,29,33H,6,8,14,16H2/t27-/m1/s1
InChIKeyZYEBBGRVFZZXLS-HHHXNRCGSA-N
XLogP5.26
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
CID 156568746
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
CID 155378086
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
CID 158110521
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 142489436
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(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
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 7105832
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
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 41339128

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one?
The IUPAC name of (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one (CID 156568807) is (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one.
What is the SMILES notation for (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one?
The canonical SMILES for (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one is O=C(C[C@]1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one?
The InChIKey is ZYEBBGRVFZZXLS-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23ClN2O3/c28-20-9-5-7-18(15-20)25(31)16-27(33)22-11-2-4-13-24(22)30(26(27)32)14-6-8-19-17-29-23-12-3-1-10-21(19)23/h1-5,7,9-13,15,17,29,33H,6,8,14,16H2/t27-/m1/s1.
What are the key properties of (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one?
(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one has a molecular weight of 458.95 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one is sourced from PubChem (CID 156568807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).