N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C13H15ClN2O2 — CID 108513998

IUPACN-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1Cc2ccccc2N1C(=O)C(=O)NCCCl
InChIInChI=1S/C13H15ClN2O2/c1-9-8-10-4-2-3-5-11(10)16(9)13(18)12(17)15-7-6-14/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyWWYXNTMTKPUSFI-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.32
Rot. Bonds2

About N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108513998) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108513998
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1Cc2ccccc2N1C(=O)C(=O)NCCCl
InChIInChI=1S/C13H15ClN2O2/c1-9-8-10-4-2-3-5-11(10)16(9)13(18)12(17)15-7-6-14/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyWWYXNTMTKPUSFI-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 108526271
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
N-(4-butylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502510
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108513998) is N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CC1Cc2ccccc2N1C(=O)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is WWYXNTMTKPUSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-8-10-4-2-3-5-11(10)16(9)13(18)12(17)15-7-6-14/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 266.73 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108513998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).