7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide

C14H15BrN2O3 — CID 115323833

IUPAC7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-1-2-9-6-12(20-13(9)11)14(18)17-8-10-7-16-4-5-19-10/h1-3,6,10,16H,4-5,7-8H2,(H,17,18)
InChIKeyMDJLYQFZJVMOCK-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.91
Rot. Bonds3

About 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide

7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 115323833) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID115323833
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-1-2-9-6-12(20-13(9)11)14(18)17-8-10-7-16-4-5-19-10/h1-3,6,10,16H,4-5,7-8H2,(H,17,18)
InChIKeyMDJLYQFZJVMOCK-UHFFFAOYSA-N
XLogP1.91
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 107956293
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
1-(7-fluoro-1-benzofuran-2-yl)-2-morpholin-2-ylethanone
CID 114736887
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 115323833) is 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCC1CNCCO1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MDJLYQFZJVMOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-11-3-1-2-9-6-12(20-13(9)11)14(18)17-8-10-7-16-4-5-19-10/h1-3,6,10,16H,4-5,7-8H2,(H,17,18).
What are the key properties of 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115323833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).