2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

C15H20ClNO2 — CID 117202294

IUPAC2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)N1CC(C(C)(C)C(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-8-12(15(3,4)14(18)19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,8H2,1-4H3,(H,18,19)
InChIKeyAMCDBGUODBNNAR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.76
Rot. Bonds3

About 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (PubChem CID 117202294) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
PubChem CID117202294
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)N1CC(C(C)(C)C(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-8-12(15(3,4)14(18)19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,8H2,1-4H3,(H,18,19)
InChIKeyAMCDBGUODBNNAR-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid 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

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202310
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117202632
2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117201885
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
5-hydroxy-1-propan-2-yl-2,3-dihydroindole-3-carbaldehyde
CID 117202551
4-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 63082675
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
1-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117202208
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117200963

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (CID 117202294) is 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is CC(C)N1CC(C(C)(C)C(=O)O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The InChIKey is AMCDBGUODBNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)17-8-12(15(3,4)14(18)19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid has a molecular weight of 281.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117202294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).