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

C18H19BrN2O — CID 18273903

IUPAC2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19BrN2O/c19-15-9-7-14(8-10-15)13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyNSOOMLFTGIKOKK-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.23
Rot. Bonds4

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

2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 18273903) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID18273903
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19BrN2O/c19-15-9-7-14(8-10-15)13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyNSOOMLFTGIKOKK-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 18273903) is 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NSOOMLFTGIKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-9-7-14(8-10-15)13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 359.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 18273903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).