4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H14BrFN2O2 — CID 112687414

IUPAC4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyXZFNPIADYKKPHU-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.94
Rot. Bonds3

About 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 112687414) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID112687414
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyXZFNPIADYKKPHU-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 112687414) is 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is XZFNPIADYKKPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19).
What are the key properties of 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 329.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 112687414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).