2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide

C26H24Cl2N2O3 — CID 35344494

IUPAC2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1Cl)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H24Cl2N2O3/c1-3-30(25(31)16-33-24-13-10-18(27)14-22(24)28)26(17-8-11-19(32-2)12-9-17)21-15-29-23-7-5-4-6-20(21)23/h4-15,26,29H,3,16H2,1-2H3/t26-/m1/s1
InChIKeyFBNYOHAFMDGVEM-AREMUKBSSA-N
MW483.40 g/mol
LogP6.50
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 35344494) has the molecular formula C26H24Cl2N2O3 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
PubChem CID35344494
Molecular FormulaC26H24Cl2N2O3
Molecular Weight483.40 g/mol
Exact Mass482.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1Cl)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H24Cl2N2O3/c1-3-30(25(31)16-33-24-13-10-18(27)14-22(24)28)26(17-8-11-19(32-2)12-9-17)21-15-29-23-7-5-4-6-20(21)23/h4-15,26,29H,3,16H2,1-2H3/t26-/m1/s1
InChIKeyFBNYOHAFMDGVEM-AREMUKBSSA-N
XLogP6.50
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 35344358
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35344444
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 43843372
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide (CID 35344494) is 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide is CCN(C(=O)COc1ccc(Cl)cc1Cl)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FBNYOHAFMDGVEM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24Cl2N2O3/c1-3-30(25(31)16-33-24-13-10-18(27)14-22(24)28)26(17-8-11-19(32-2)12-9-17)21-15-29-23-7-5-4-6-20(21)23/h4-15,26,29H,3,16H2,1-2H3/t26-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 483.40 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 35344494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).