N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide

C12H15BrN2O2 — CID 22350324

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O2/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16)
InChIKeyHTFGHCSGYIOKGN-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.87
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide (PubChem CID 22350324) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
PubChem CID22350324
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O2/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16)
InChIKeyHTFGHCSGYIOKGN-UHFFFAOYSA-N
XLogP1.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
CID 22350688
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 95969243
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide (CID 22350324) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc(Br)o1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide?
The InChIKey is HTFGHCSGYIOKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-2-1-10(17-11)12(16)14-9-5-8-3-4-15(6-8)7-9/h1-2,8-9H,3-7H2,(H,14,16).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 22350324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).