5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C14H16BrFN2O2 — CID 60651347

IUPAC5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c15-10-3-4-12(16)11(9-10)14(20)17-6-5-13(19)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,20)
InChIKeyHYOAIAZRSLRVQV-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 60651347) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID60651347
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c15-10-3-4-12(16)11(9-10)14(20)17-6-5-13(19)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,20)
InChIKeyHYOAIAZRSLRVQV-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034736
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 60651347) is 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is HYOAIAZRSLRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-10-3-4-12(16)11(9-10)14(20)17-6-5-13(19)18-7-1-2-8-18/h3-4,9H,1-2,5-8H2,(H,17,20).
What are the key properties of 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 343.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 60651347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).