7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

C17H18FN3O2 — CID 23723707

IUPAC7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCn2ccnc2C)oc2c(F)cccc12
InChIInChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(3)9-10-21-8-7-19-12(21)2/h4-8H,9-10H2,1-3H3
InChIKeyYIFNOLVGNTVTFG-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.16
Rot. Bonds4

About 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 23723707) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID23723707
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCn2ccnc2C)oc2c(F)cccc12
InChIInChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(3)9-10-21-8-7-19-12(21)2/h4-8H,9-10H2,1-3H3
InChIKeyYIFNOLVGNTVTFG-UHFFFAOYSA-N
XLogP3.16
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.16
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-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 23723707) is 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CCn2ccnc2C)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is YIFNOLVGNTVTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(3)9-10-21-8-7-19-12(21)2/h4-8H,9-10H2,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.16, 4 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-[2-(2-methylimidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).