3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C21H18FN3O2 — CID 169418784

IUPAC3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(F)cc(-c2ccc3occc3c2)c1
InChIInChI=1S/C21H18FN3O2/c1-24(12-14-11-23-25(2)13-14)21(26)18-8-17(9-19(22)10-18)15-3-4-20-16(7-15)5-6-27-20/h3-11,13H,12H2,1-2H3
InChIKeyCVXRAAPDONAKEL-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.24
Rot. Bonds4

About 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 169418784) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID169418784
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(F)cc(-c2ccc3occc3c2)c1
InChIInChI=1S/C21H18FN3O2/c1-24(12-14-11-23-25(2)13-14)21(26)18-8-17(9-19(22)10-18)15-3-4-20-16(7-15)5-6-27-20/h3-11,13H,12H2,1-2H3
InChIKeyCVXRAAPDONAKEL-UHFFFAOYSA-N
XLogP4.24
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 169418784) is 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cc(F)cc(-c2ccc3occc3c2)c1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CVXRAAPDONAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-24(12-14-11-23-25(2)13-14)21(26)18-8-17(9-19(22)10-18)15-3-4-20-16(7-15)5-6-27-20/h3-11,13H,12H2,1-2H3.
What are the key properties of 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 169418784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).