4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H17BrN2O2 — CID 51147959

IUPAC4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2/c1-10(14(19)17-8-2-3-9-17)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyUMDNWUMQGMSCLB-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.19
Rot. Bonds3

About 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 51147959) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID51147959
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2/c1-10(14(19)17-8-2-3-9-17)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyUMDNWUMQGMSCLB-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 51147959) is 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is UMDNWUMQGMSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(14(19)17-8-2-3-9-17)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 325.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 51147959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).