5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C22H23FN2O2 — CID 9143222

IUPAC5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C22H23FN2O2/c1-15-19-12-18(23)8-9-20(19)27-21(15)22(26)24-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,24,26)
InChIKeyAYRGCYDPZISOCM-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.41
Rot. Bonds5

About 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 9143222) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID9143222
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C22H23FN2O2/c1-15-19-12-18(23)8-9-20(19)27-21(15)22(26)24-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,24,26)
InChIKeyAYRGCYDPZISOCM-UHFFFAOYSA-N
XLogP4.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 9143222) is 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is AYRGCYDPZISOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-19-12-18(23)8-9-20(19)27-21(15)22(26)24-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,24,26).
What are the key properties of 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9143222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).