2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

C15H19BrN2O2 — CID 110736735

IUPAC2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CC(NC(=O)Cc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(8-15(18)20)17-14(19)7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyKZVLSTYCVFTLGF-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 110736735) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID110736735
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CC(NC(=O)Cc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(8-15(18)20)17-14(19)7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyKZVLSTYCVFTLGF-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736682
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
1-[2-(3-bromophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877068
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide
CID 167356963
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
1-[2-(4-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876999
2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736737
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
1-(2-bromo-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877024
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 110736735) is 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is CC(C)N1CC(NC(=O)Cc2ccc(Br)cc2)CC1=O.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is KZVLSTYCVFTLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(8-15(18)20)17-14(19)7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.12, 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-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110736735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).