2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide

C26H25ClN2O2 — CID 35344435

IUPAC2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H25ClN2O2/c1-3-29(25(30)17-31-21-14-12-20(27)13-15-21)26(19-10-8-18(2)9-11-19)23-16-28-24-7-5-4-6-22(23)24/h4-16,26,28H,3,17H2,1-2H3/t26-/m0/s1
InChIKeyCOSZDQGRKRMTTO-SANMLTNESA-N
MW432.95 g/mol
LogP6.15
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide

2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide (PubChem CID 35344435) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
PubChem CID35344435
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H25ClN2O2/c1-3-29(25(30)17-31-21-14-12-20(27)13-15-21)26(19-10-8-18(2)9-11-19)23-16-28-24-7-5-4-6-22(23)24/h4-16,26,28H,3,17H2,1-2H3/t26-/m0/s1
InChIKeyCOSZDQGRKRMTTO-SANMLTNESA-N
XLogP6.15
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 43843372
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
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-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide (CID 35344435) is 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide is CCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The InChIKey is COSZDQGRKRMTTO-SANMLTNESA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-3-29(25(30)17-31-21-14-12-20(27)13-15-21)26(19-10-8-18(2)9-11-19)23-16-28-24-7-5-4-6-22(23)24/h4-16,26,28H,3,17H2,1-2H3/t26-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide has a molecular weight of 432.95 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 35344435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).