5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide

C10H13BrN2O3 — CID 103548570

IUPAC5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1COCCN1)c1ccc(Br)o1
InChIInChI=1S/C10H13BrN2O3/c11-9-2-1-8(16-9)10(14)13-5-7-6-15-4-3-12-7/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyILBNIIREKZXHGW-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.76
Rot. Bonds3

About 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide

5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide (PubChem CID 103548570) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
PubChem CID103548570
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1COCCN1)c1ccc(Br)o1
InChIInChI=1S/C10H13BrN2O3/c11-9-2-1-8(16-9)10(14)13-5-7-6-15-4-3-12-7/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyILBNIIREKZXHGW-UHFFFAOYSA-N
XLogP0.76
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
morpholin-3-ylmethylurea
CID 103548775
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972060
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275
N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 103548664
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548575
N-(morpholin-3-ylmethyl)-1H-indole-6-carboxamide
CID 103548357
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide (CID 103548570) is 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide is O=C(NCC1COCCN1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is ILBNIIREKZXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c11-9-2-1-8(16-9)10(14)13-5-7-6-15-4-3-12-7/h1-2,7,12H,3-6H2,(H,13,14).
What are the key properties of 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide?
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 103548570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).