2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C19H21ClN2O2 — CID 4800881

IUPAC2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-12-16(22-10-2-3-11-22)6-9-18(14)21-19(23)13-24-17-7-4-15(20)5-8-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyIZJRZRXQTNZRCJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 4800881) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID4800881
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-12-16(22-10-2-3-11-22)6-9-18(14)21-19(23)13-24-17-7-4-15(20)5-8-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyIZJRZRXQTNZRCJ-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 4800881) is 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is IZJRZRXQTNZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-12-16(22-10-2-3-11-22)6-9-18(14)21-19(23)13-24-17-7-4-15(20)5-8-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4800881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).