N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H12BrFN2O2 — CID 113255444

IUPACN-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFN2O2/c13-9-4-3-8(14)6-10(9)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17)
InChIKeyUTWYMILECXLRKL-UHFFFAOYSA-N
MW315.14 g/mol
LogP2.15
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 113255444) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID113255444
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFN2O2/c13-9-4-3-8(14)6-10(9)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17)
InChIKeyUTWYMILECXLRKL-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 115295806
2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43442842
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46405968
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 113255444) is N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is UTWYMILECXLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c13-9-4-3-8(14)6-10(9)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 315.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 113255444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).