7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide

C18H17FN2O2 — CID 25288011

IUPAC7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C18H17FN2O2/c1-11-9-20-8-7-13(11)10-21(3)18(22)16-12(2)14-5-4-6-15(19)17(14)23-16/h4-9H,10H2,1-3H3
InChIKeyBJYSOCCOLNXVDG-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.86
Rot. Bonds3

About 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 25288011) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID25288011
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C18H17FN2O2/c1-11-9-20-8-7-13(11)10-21(3)18(22)16-12(2)14-5-4-6-15(19)17(14)23-16/h4-9H,10H2,1-3H3
InChIKeyBJYSOCCOLNXVDG-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide (CID 25288011) is 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide is Cc1cnccc1CN(C)C(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BJYSOCCOLNXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-9-20-8-7-13(11)10-21(3)18(22)16-12(2)14-5-4-6-15(19)17(14)23-16/h4-9H,10H2,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.86, 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-[(3-methyl-4-pyridinyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25288011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).