7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C15H17BrN2O2 — CID 106995228

IUPAC7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3cccc(Br)c3o2)CCN1
InChIInChI=1S/C15H17BrN2O2/c1-9-7-11(5-6-17-9)18-15(19)13-8-10-3-2-4-12(16)14(10)20-13/h2-4,8-9,11,17H,5-7H2,1H3,(H,18,19)
InChIKeyRVWNRXMKZVQLKZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.07
Rot. Bonds2

About 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide

7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 106995228) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID106995228
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3cccc(Br)c3o2)CCN1
InChIInChI=1S/C15H17BrN2O2/c1-9-7-11(5-6-17-9)18-15(19)13-8-10-3-2-4-12(16)14(10)20-13/h2-4,8-9,11,17H,5-7H2,1H3,(H,18,19)
InChIKeyRVWNRXMKZVQLKZ-UHFFFAOYSA-N
XLogP3.07
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813713
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192686
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 106995225

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 106995228) is 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide is CC1CC(NC(=O)c2cc3cccc(Br)c3o2)CCN1.
What is the InChIKey of 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is RVWNRXMKZVQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-7-11(5-6-17-9)18-15(19)13-8-10-3-2-4-12(16)14(10)20-13/h2-4,8-9,11,17H,5-7H2,1H3,(H,18,19).
What are the key properties of 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106995228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).