2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide

C18H17BrN2O3 — CID 91958146

IUPAC2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(OC)c2cc(Br)oc2c1
InChIInChI=1S/C18H17BrN2O3/c1-3-21(11-12-4-6-20-7-5-12)18(22)13-8-15(23-2)14-10-17(19)24-16(14)9-13/h4-10H,3,11H2,1-2H3
InChIKeyYAQISEPMPLKMOI-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.26
Rot. Bonds5

About 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide

2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide (PubChem CID 91958146) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
PubChem CID91958146
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(OC)c2cc(Br)oc2c1
InChIInChI=1S/C18H17BrN2O3/c1-3-21(11-12-4-6-20-7-5-12)18(22)13-8-15(23-2)14-10-17(19)24-16(14)9-13/h4-10H,3,11H2,1-2H3
InChIKeyYAQISEPMPLKMOI-UHFFFAOYSA-N
XLogP4.26
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
5-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046065
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide (CID 91958146) is 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(OC)c2cc(Br)oc2c1.
What is the InChIKey of 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide?
The InChIKey is YAQISEPMPLKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-21(11-12-4-6-20-7-5-12)18(22)13-8-15(23-2)14-10-17(19)24-16(14)9-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide?
2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).