(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C13H12BrNO3 — CID 2988316

IUPAC(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCOCC1
InChIInChI=1S/C13H12BrNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyURRKMNCDEVQXPU-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.67
Rot. Bonds1

About (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 2988316) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID2988316
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCOCC1
InChIInChI=1S/C13H12BrNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyURRKMNCDEVQXPU-UHFFFAOYSA-N
XLogP2.67
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CL82198
CID 2777
Befuraline
CID 68664
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
5-bromo-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166627468
[5-(4-Bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 710700
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
1-[4-(1-Benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 2116981
N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 2469681

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 2988316) is (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2cc(Br)ccc2o1)N1CCOCC1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is URRKMNCDEVQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 310.15 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2988316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).