5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride

C16H20BrClN2O2 — CID 120602547

IUPAC5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNC(C)C2)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C16H19BrN2O2.ClH/c1-9-7-12(5-6-18-9)19-16(20)15-10(2)13-8-11(17)3-4-14(13)21-15;/h3-4,8-9,12,18H,5-7H2,1-2H3,(H,19,20);1H
InChIKeyNWWHZZHMLUESQE-UHFFFAOYSA-N
MW387.71 g/mol
LogP3.80
Rot. Bonds2

About 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride

5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120602547) has the molecular formula C16H20BrClN2O2 and a molecular weight of 387.71 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120602547
Molecular FormulaC16H20BrClN2O2
Molecular Weight387.71 g/mol
Exact Mass386.04
IUPAC Name5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNC(C)C2)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C16H19BrN2O2.ClH/c1-9-7-12(5-6-18-9)19-16(20)15-10(2)13-8-11(17)3-4-14(13)21-15;/h3-4,8-9,12,18H,5-7H2,1-2H3,(H,19,20);1H
InChIKeyNWWHZZHMLUESQE-UHFFFAOYSA-N
XLogP3.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120599071
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602574
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 16573952
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride (CID 120602547) is 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCNC(C)C2)oc2ccc(Br)cc12.Cl.
What is the InChIKey of 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is NWWHZZHMLUESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2.ClH/c1-9-7-12(5-6-18-9)19-16(20)15-10(2)13-8-11(17)3-4-14(13)21-15;/h3-4,8-9,12,18H,5-7H2,1-2H3,(H,19,20);1H.
What are the key properties of 5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 3.80, 2 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-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120602547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).