(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one

C23H17ClFNO4 — CID 1425903

IUPAC(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccccc1O
InChIInChI=1S/C23H17ClFNO4/c24-17-8-5-9-18(25)15(17)13-26-19-10-3-2-7-16(19)23(30,22(26)29)12-21(28)14-6-1-4-11-20(14)27/h1-11,27,30H,12-13H2/t23-/m1/s1
InChIKeyOBUNLXZYBOCNBZ-HSZRJFAPSA-N
MW425.84 g/mol
LogP4.19
Rot. Bonds5

About (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one

(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one (PubChem CID 1425903) has the molecular formula C23H17ClFNO4 and a molecular weight of 425.84 g/mol. Its IUPAC name is (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
PubChem CID1425903
Molecular FormulaC23H17ClFNO4
Molecular Weight425.84 g/mol
Exact Mass425.08
IUPAC Name(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccccc1O
InChIInChI=1S/C23H17ClFNO4/c24-17-8-5-9-18(25)15(17)13-26-19-10-3-2-7-16(19)23(30,22(26)29)12-21(28)14-6-1-4-11-20(14)27/h1-11,27,30H,12-13H2/t23-/m1/s1
InChIKeyOBUNLXZYBOCNBZ-HSZRJFAPSA-N
XLogP4.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one with MolForge

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Related Compounds

(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 1425884
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425900
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425891
1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 17078106
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411
(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17088446
(3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 7647831
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874882

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one (CID 1425903) is (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccccc1O.
What is the InChIKey of (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is OBUNLXZYBOCNBZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17ClFNO4/c24-17-8-5-9-18(25)15(17)13-26-19-10-3-2-7-16(19)23(30,22(26)29)12-21(28)14-6-1-4-11-20(14)27/h1-11,27,30H,12-13H2/t23-/m1/s1.
What are the key properties of (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one?
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 425.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 1425903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).