(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one

C24H19ClN2O2 — CID 7275526

IUPAC(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C24H19ClN2O2/c1-15-6-2-3-7-16(15)14-27-22-11-10-17(25)12-19(22)24(29,23(27)28)20-13-26-21-9-5-4-8-18(20)21/h2-13,26,29H,14H2,1H3/t24-/m1/s1
InChIKeyUCRDJPSXMXMKCG-XMMPIXPASA-N
MW402.88 g/mol
LogP4.91
Rot. Bonds3

About (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one

(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one (PubChem CID 7275526) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
PubChem CID7275526
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C24H19ClN2O2/c1-15-6-2-3-7-16(15)14-27-22-11-10-17(25)12-19(22)24(29,23(27)28)20-13-26-21-9-5-4-8-18(20)21/h2-13,26,29H,14H2,1H3/t24-/m1/s1
InChIKeyUCRDJPSXMXMKCG-XMMPIXPASA-N
XLogP4.91
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one with MolForge

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Related Compounds

(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 41145231
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 66523007
(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
CID 7379583
5-chloro-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 3850844
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-(2-phenylethyl)indol-2-one
CID 2945553
5-chloro-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 3807529
ethyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxoindole-3-carboxylate
CID 70533846

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one?
The IUPAC name of (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one (CID 7275526) is (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one.
What is the SMILES notation for (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one?
The canonical SMILES for (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one is Cc1ccccc1CN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21.
What is the InChIKey of (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one?
The InChIKey is UCRDJPSXMXMKCG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-6-2-3-7-16(15)14-27-22-11-10-17(25)12-19(22)24(29,23(27)28)20-13-26-21-9-5-4-8-18(20)21/h2-13,26,29H,14H2,1H3/t24-/m1/s1.
What are the key properties of (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one?
(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one has a molecular weight of 402.88 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one is sourced from PubChem (CID 7275526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).