5-bromo-N-morpholin-4-ylfuran-2-carboxamide

C9H11BrN2O3 — CID 772338

IUPAC5-bromo-N-morpholin-4-ylfuran-2-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O3/c10-8-2-1-7(15-8)9(13)11-12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13)
InChIKeyZLKZCGVMJNBUTE-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.02
Rot. Bonds2

About 5-bromo-N-morpholin-4-ylfuran-2-carboxamide

5-bromo-N-morpholin-4-ylfuran-2-carboxamide (PubChem CID 772338) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-N-morpholin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-morpholin-4-ylfuran-2-carboxamide
PubChem CID772338
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name5-bromo-N-morpholin-4-ylfuran-2-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O3/c10-8-2-1-7(15-8)9(13)11-12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13)
InChIKeyZLKZCGVMJNBUTE-UHFFFAOYSA-N
XLogP1.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-morpholin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-morpholin-4-ylfuran-2-carboxamide (CID 772338) is 5-bromo-N-morpholin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-morpholin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-morpholin-4-ylfuran-2-carboxamide is O=C(NN1CCOCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-morpholin-4-ylfuran-2-carboxamide?
The InChIKey is ZLKZCGVMJNBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-8-2-1-7(15-8)9(13)11-12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13).
What are the key properties of 5-bromo-N-morpholin-4-ylfuran-2-carboxamide?
5-bromo-N-morpholin-4-ylfuran-2-carboxamide has a molecular weight of 275.10 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-morpholin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 772338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).