2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H19ClN2O — CID 806743

IUPAC2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyHGDXVTDOHMKKCN-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 806743) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID806743
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyHGDXVTDOHMKKCN-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 806743) is 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is HGDXVTDOHMKKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 314.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).