5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

C17H15BrN2O2 — CID 71888966

IUPAC5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccn2)oc2ccc(Br)cc12
InChIInChI=1S/C17H15BrN2O2/c1-11-14-9-12(18)6-7-15(14)22-16(11)17(21)20(2)10-13-5-3-4-8-19-13/h3-9H,10H2,1-2H3
InChIKeyPICJSEHZVIVGGG-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 71888966) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID71888966
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccn2)oc2ccc(Br)cc12
InChIInChI=1S/C17H15BrN2O2/c1-11-14-9-12(18)6-7-15(14)22-16(11)17(21)20(2)10-13-5-3-4-8-19-13/h3-9H,10H2,1-2H3
InChIKeyPICJSEHZVIVGGG-UHFFFAOYSA-N
XLogP4.17
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 64510108
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 52985233
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 39947725
5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
CID 18190752
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
5-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9119619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 71888966) is 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccccn2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PICJSEHZVIVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-14-9-12(18)6-7-15(14)22-16(11)17(21)20(2)10-13-5-3-4-8-19-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71888966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).