[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

C23H24ClNO3 — CID 7209268

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)c[nH]c12
InChIInChI=1S/C23H24ClNO3/c1-4-15-6-5-7-18-19(12-25-22(15)18)20(26)13-28-23(27)21(14(2)3)16-8-10-17(24)11-9-16/h5-12,14,21,25H,4,13H2,1-3H3/t21-/m0/s1
InChIKeyIOQDBNBXIQOHAG-NRFANRHFSA-N
MW397.90 g/mol
LogP5.55
Rot. Bonds7

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate (PubChem CID 7209268) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
PubChem CID7209268
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)c[nH]c12
InChIInChI=1S/C23H24ClNO3/c1-4-15-6-5-7-18-19(12-25-22(15)18)20(26)13-28-23(27)21(14(2)3)16-8-10-17(24)11-9-16/h5-12,14,21,25H,4,13H2,1-3H3/t21-/m0/s1
InChIKeyIOQDBNBXIQOHAG-NRFANRHFSA-N
XLogP5.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 18280151
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7873987
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 27805798
4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842536
trans-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777256
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8847117
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8015250

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate (CID 7209268) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is CCc1cccc2c(C(=O)COC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The InChIKey is IOQDBNBXIQOHAG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-4-15-6-5-7-18-19(12-25-22(15)18)20(26)13-28-23(27)21(14(2)3)16-8-10-17(24)11-9-16/h5-12,14,21,25H,4,13H2,1-3H3/t21-/m0/s1.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate has a molecular weight of 397.90 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is sourced from PubChem (CID 7209268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).