N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide

C19H19Cl2N3O2 — CID 4824835

IUPACN-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-23(11-18(25)22-14-6-7-15(20)16(21)10-14)12-19(26)24-9-8-13-4-2-3-5-17(13)24/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyBQAJOXNOVNKZNS-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.45
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 4824835) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID4824835
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-23(11-18(25)22-14-6-7-15(20)16(21)10-14)12-19(26)24-9-8-13-4-2-3-5-17(13)24/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyBQAJOXNOVNKZNS-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide (CID 4824835) is N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is BQAJOXNOVNKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-23(11-18(25)22-14-6-7-15(20)16(21)10-14)12-19(26)24-9-8-13-4-2-3-5-17(13)24/h2-7,10H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 4824835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).