N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide

C15H19ClN2O2 — CID 146162191

IUPACN-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCC1CN(C(C)=O)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O2/c1-10(19)17(3)8-7-12-9-18(11(2)20)15-13(12)5-4-6-14(15)16/h4-6,12H,7-9H2,1-3H3
InChIKeyNDJVBHZTQXFSSD-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide

N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide (PubChem CID 146162191) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide
PubChem CID146162191
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCC1CN(C(C)=O)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O2/c1-10(19)17(3)8-7-12-9-18(11(2)20)15-13(12)5-4-6-14(15)16/h4-6,12H,7-9H2,1-3H3
InChIKeyNDJVBHZTQXFSSD-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide (CID 146162191) is N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide is CC(=O)N(C)CCC1CN(C(C)=O)c2c(Cl)cccc21.
What is the InChIKey of N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide?
The InChIKey is NDJVBHZTQXFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(19)17(3)8-7-12-9-18(11(2)20)15-13(12)5-4-6-14(15)16/h4-6,12H,7-9H2,1-3H3.
What are the key properties of N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide?
N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide has a molecular weight of 294.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetyl-7-chloro-2,3-dihydroindol-3-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 146162191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).