2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide

C18H19ClN2O — CID 67241172

IUPAC2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(C2CCNC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-13(2-6-16)11-18(22)21-17-7-3-14(4-8-17)15-9-10-20-12-15/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyJZVUKDRFAQNXAL-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide

2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide (PubChem CID 67241172) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide
PubChem CID67241172
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(C2CCNC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-13(2-6-16)11-18(22)21-17-7-3-14(4-8-17)15-9-10-20-12-15/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyJZVUKDRFAQNXAL-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide (CID 67241172) is 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(C2CCNC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide?
The InChIKey is JZVUKDRFAQNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-5-1-13(2-6-16)11-18(22)21-17-7-3-14(4-8-17)15-9-10-20-12-15/h1-8,15,20H,9-12H2,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide?
2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide has a molecular weight of 314.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-pyrrolidin-3-ylphenyl)acetamide is sourced from PubChem (CID 67241172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).