N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide

C12H14BrFN2O2 — CID 103808527

IUPACN-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-10-2-1-8(14)5-11(10)16-12(17)6-9-7-15-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyJXQLTGOBLHZWGW-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.91
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide

N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide (PubChem CID 103808527) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
PubChem CID103808527
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-10-2-1-8(14)5-11(10)16-12(17)6-9-7-15-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyJXQLTGOBLHZWGW-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide
CID 66428260
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66433794
N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
CID 66433758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide (CID 103808527) is N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide?
The InChIKey is JXQLTGOBLHZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-10-2-1-8(14)5-11(10)16-12(17)6-9-7-15-3-4-18-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide?
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide has a molecular weight of 317.16 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 103808527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).