N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide

C11H12BrFN2O2 — CID 103755867

IUPACN-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)N1CCOCC1
InChIInChI=1S/C11H12BrFN2O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyDBZFLTMYBUKPHX-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.45
Rot. Bonds1

About N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide

N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide (PubChem CID 103755867) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
PubChem CID103755867
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC NameN-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)N1CCOCC1
InChIInChI=1S/C11H12BrFN2O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyDBZFLTMYBUKPHX-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide (CID 103755867) is N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide is O=C(Nc1cc(F)ccc1Br)N1CCOCC1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is DBZFLTMYBUKPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide?
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 303.13 g/mol, XLogP of 2.45, 1 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)morpholine-4-carboxamide is sourced from PubChem (CID 103755867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).