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

C16H20BrN2O3+ — CID 8852037

IUPAC5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC[NH+]2CCOCC2)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)/p+1
InChIKeyPEGUNCMCAMMUQF-UHFFFAOYSA-O
MW368.25 g/mol
LogP1.15
Rot. Bonds4

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

5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 8852037) has the molecular formula C16H20BrN2O3+ and a molecular weight of 368.25 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID8852037
Molecular FormulaC16H20BrN2O3+
Molecular Weight368.25 g/mol
Exact Mass367.07
IUPAC Name5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC[NH+]2CCOCC2)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)/p+1
InChIKeyPEGUNCMCAMMUQF-UHFFFAOYSA-O
XLogP1.15
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103767302
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155942919
5-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7286130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide (CID 8852037) is 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC[NH+]2CCOCC2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PEGUNCMCAMMUQF-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 368.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8852037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).