(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

C21H21ClN2O4 — CID 1419494

IUPAC(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O4/c22-16-7-5-15(6-8-16)19(25)13-21(27)17-3-1-2-4-18(17)24(20(21)26)14-23-9-11-28-12-10-23/h1-8,27H,9-14H2/t21-/m1/s1
InChIKeyKWMLDLVVIIPWDV-OAQYLSRUSA-N
MW400.86 g/mol
LogP2.44
Rot. Bonds5

About (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 1419494) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID1419494
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O4/c22-16-7-5-15(6-8-16)19(25)13-21(27)17-3-1-2-4-18(17)24(20(21)26)14-23-9-11-28-12-10-23/h1-8,27H,9-14H2/t21-/m1/s1
InChIKeyKWMLDLVVIIPWDV-OAQYLSRUSA-N
XLogP2.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 7046085
3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 3400220
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425662
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425627
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425616
3-hydroxy-1-(morpholin-4-ylmethyl)-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425650
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 3841448
(3R)-3-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425681
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
CID 17138914
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (CID 1419494) is (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is KWMLDLVVIIPWDV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c22-16-7-5-15(6-8-16)19(25)13-21(27)17-3-1-2-4-18(17)24(20(21)26)14-23-9-11-28-12-10-23/h1-8,27H,9-14H2/t21-/m1/s1.
What are the key properties of (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 400.86 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 1419494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).