2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide

C24H27Cl2N3O3 — CID 20662397

IUPAC2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide
SMILESCN(C)CCCN(C)C(=O)C(=O)c1c(COc2ccc(Cl)cc2Cl)n(C)c2ccccc12
InChIInChI=1S/C24H27Cl2N3O3/c1-27(2)12-7-13-28(3)24(31)23(30)22-17-8-5-6-9-19(17)29(4)20(22)15-32-21-11-10-16(25)14-18(21)26/h5-6,8-11,14H,7,12-13,15H2,1-4H3
InChIKeyMLEYBVVBKBOOKD-UHFFFAOYSA-N
MW476.40 g/mol
LogP4.66
Rot. Bonds9

About 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide

2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide (PubChem CID 20662397) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide
PubChem CID20662397
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide
SMILESCN(C)CCCN(C)C(=O)C(=O)c1c(COc2ccc(Cl)cc2Cl)n(C)c2ccccc12
InChIInChI=1S/C24H27Cl2N3O3/c1-27(2)12-7-13-28(3)24(31)23(30)22-17-8-5-6-9-19(17)29(4)20(22)15-32-21-11-10-16(25)14-18(21)26/h5-6,8-11,14H,7,12-13,15H2,1-4H3
InChIKeyMLEYBVVBKBOOKD-UHFFFAOYSA-N
XLogP4.66
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
CID 170771181
2-[(2,4-dichlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 10692519
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 21196057
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[(2,4-dichlorophenoxy)methyl]-1-methyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indole
CID 21196214
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 99965989
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 20662366
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460553

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide (CID 20662397) is 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide is CN(C)CCCN(C)C(=O)C(=O)c1c(COc2ccc(Cl)cc2Cl)n(C)c2ccccc12.
What is the InChIKey of 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide?
The InChIKey is MLEYBVVBKBOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c1-27(2)12-7-13-28(3)24(31)23(30)22-17-8-5-6-9-19(17)29(4)20(22)15-32-21-11-10-16(25)14-18(21)26/h5-6,8-11,14H,7,12-13,15H2,1-4H3.
What are the key properties of 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide?
2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide has a molecular weight of 476.40 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 20662397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).