5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

C16H19BrN2O3 — CID 8852038

IUPAC5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2ccc(Br)cc12
InChIInChI=1S/C16H19BrN2O3/c1-11-13-10-12(17)2-3-14(13)22-15(11)16(20)18-4-5-19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyPEGUNCMCAMMUQF-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.57
Rot. Bonds4

About 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 8852038) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID8852038
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2ccc(Br)cc12
InChIInChI=1S/C16H19BrN2O3/c1-11-13-10-12(17)2-3-14(13)22-15(11)16(20)18-4-5-19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyPEGUNCMCAMMUQF-UHFFFAOYSA-N
XLogP2.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 8852038) is 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PEGUNCMCAMMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-11-13-10-12(17)2-3-14(13)22-15(11)16(20)18-4-5-19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8852038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).