N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C21H25ClN2O2 — CID 24542506

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCN(C)C(CNC(=O)COc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-24(2)20(18-8-3-4-9-19(18)22)13-23-21(25)14-26-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,20H,5-7,13-14H2,1-2H3,(H,23,25)
InChIKeySRFLSTJAPUDZKG-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 24542506) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID24542506
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCN(C)C(CNC(=O)COc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-24(2)20(18-8-3-4-9-19(18)22)13-23-21(25)14-26-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,20H,5-7,13-14H2,1-2H3,(H,23,25)
InChIKeySRFLSTJAPUDZKG-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 24542506) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is CN(C)C(CNC(=O)COc1ccc2c(c1)CCC2)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is SRFLSTJAPUDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-24(2)20(18-8-3-4-9-19(18)22)13-23-21(25)14-26-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,20H,5-7,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 372.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 24542506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).