(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

C19H17ClN2O2 — CID 7379583

IUPAC(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O2/c1-3-22-16-9-8-12(20)10-14(16)19(24,18(22)23)17-11(2)21-15-7-5-4-6-13(15)17/h4-10,21,24H,3H2,1-2H3/t19-/m0/s1
InChIKeyRAPVBJBNMRMGRT-IBGZPJMESA-N
MW340.81 g/mol
LogP3.73
Rot. Bonds2

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

(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (PubChem CID 7379583) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
PubChem CID7379583
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O2/c1-3-22-16-9-8-12(20)10-14(16)19(24,18(22)23)17-11(2)21-15-7-5-4-6-13(15)17/h4-10,21,24H,3H2,1-2H3/t19-/m0/s1
InChIKeyRAPVBJBNMRMGRT-IBGZPJMESA-N
XLogP3.73
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-(2-phenylethyl)indol-2-one
CID 2945553
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
CID 29164492
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 3708416
2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetamide
CID 3766110
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-(2-phenylethyl)indol-2-one
CID 3751014
(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 2112150
2-(5'-chloro-1-ethyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl)acetic acid
CID 147100074
2-[(4R)-5'-chloro-1-ethyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
CID 160820013

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The IUPAC name of (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (CID 7379583) is (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.
What is the SMILES notation for (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The canonical SMILES for (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is CCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Cl)ccc21.
What is the InChIKey of (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The InChIKey is RAPVBJBNMRMGRT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-22-16-9-8-12(20)10-14(16)19(24,18(22)23)17-11(2)21-15-7-5-4-6-13(15)17/h4-10,21,24H,3H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one has a molecular weight of 340.81 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 7379583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).