2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H26Cl2N2O2 — CID 14476603

IUPAC2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O2/c1-26(22(28)15-29-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)27-12-4-5-13-27/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3
InChIKeyCHTICWBYWFGSMJ-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.98
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 14476603) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID14476603
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O2/c1-26(22(28)15-29-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)27-12-4-5-13-27/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3
InChIKeyCHTICWBYWFGSMJ-UHFFFAOYSA-N
XLogP4.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 14476603) is 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is CHTICWBYWFGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-26(22(28)15-29-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)27-12-4-5-13-27/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 433.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 14476603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).