[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate

C22H15ClN2O3 — CID 8804245

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1cc(Cl)ccn1
InChIInChI=1S/C22H15ClN2O3/c23-15-10-11-24-18(12-15)22(27)28-13-19(26)20-16-8-4-5-9-17(16)25-21(20)14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeyCMEBSQVXZINDBY-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.92
Rot. Bonds5

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8804245) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
PubChem CID8804245
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1cc(Cl)ccn1
InChIInChI=1S/C22H15ClN2O3/c23-15-10-11-24-18(12-15)22(27)28-13-19(26)20-16-8-4-5-9-17(16)25-21(20)14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeyCMEBSQVXZINDBY-UHFFFAOYSA-N
XLogP4.92
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate 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-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 7858967
2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 2568914
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615436
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191600
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8804249
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate (CID 8804245) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate is O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1cc(Cl)ccn1.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is CMEBSQVXZINDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-15-10-11-24-18(12-15)22(27)28-13-19(26)20-16-8-4-5-9-17(16)25-21(20)14-6-2-1-3-7-14/h1-12,25H,13H2.
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 390.83 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8804245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).