7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide

C20H16FN3O2 — CID 70715090

IUPAC7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cnc3ccccc3n2)oc2c(F)cccc12
InChIInChI=1S/C20H16FN3O2/c1-12-14-6-5-7-15(21)19(14)26-18(12)20(25)24(2)11-13-10-22-16-8-3-4-9-17(16)23-13/h3-10H,11H2,1-2H3
InChIKeyGBTDPEJHOJBQMZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.10
Rot. Bonds3

About 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 70715090) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID70715090
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cnc3ccccc3n2)oc2c(F)cccc12
InChIInChI=1S/C20H16FN3O2/c1-12-14-6-5-7-15(21)19(14)26-18(12)20(25)24(2)11-13-10-22-16-8-3-4-9-17(16)23-13/h3-10H,11H2,1-2H3
InChIKeyGBTDPEJHOJBQMZ-UHFFFAOYSA-N
XLogP4.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 70715090) is 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)Cc2cnc3ccccc3n2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GBTDPEJHOJBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-14-6-5-7-15(21)19(14)26-18(12)20(25)24(2)11-13-10-22-16-8-3-4-9-17(16)23-13/h3-10H,11H2,1-2H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70715090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).