7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

C18H17FN2O2 — CID 24818990

IUPAC7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccccn2)oc2c(F)cccc12
InChIInChI=1S/C18H17FN2O2/c1-11-13-7-6-8-14(19)17(13)23-16(11)18(22)21(3)12(2)15-9-4-5-10-20-15/h4-10,12H,1-3H3
InChIKeyIUUGQJNVRBHVRI-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.11
Rot. Bonds3

About 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 24818990) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID24818990
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccccn2)oc2c(F)cccc12
InChIInChI=1S/C18H17FN2O2/c1-11-13-7-6-8-14(19)17(13)23-16(11)18(22)21(3)12(2)15-9-4-5-10-20-15/h4-10,12H,1-3H3
InChIKeyIUUGQJNVRBHVRI-UHFFFAOYSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 24818990) is 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C(C)c2ccccn2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IUUGQJNVRBHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-13-7-6-8-14(19)17(13)23-16(11)18(22)21(3)12(2)15-9-4-5-10-20-15/h4-10,12H,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-(1-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24818990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).