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

C23H26Cl2N2O3 — CID 19888643

IUPAC2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCON(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3
InChIKeyTYXOMKRNHGBCSB-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.91
Rot. Bonds6

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

2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 19888643) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID19888643
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCON(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3
InChIKeyTYXOMKRNHGBCSB-UHFFFAOYSA-N
XLogP4.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 19888643) is 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CON(C(=O)COc1ccc(Cl)c(Cl)c1)C1c2ccccc2CCC1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is TYXOMKRNHGBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/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-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 449.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 19888643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).