N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide

C12H14BrFN2O2 — CID 5042658

IUPACN-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyMLWYFUGTLZYBFD-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.86
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide

N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 5042658) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID5042658
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyMLWYFUGTLZYBFD-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide (CID 5042658) is N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is MLWYFUGTLZYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide?
N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 317.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5042658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).