4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

C21H21FN2O2 — CID 144537743

IUPAC4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3occc3c2)cc1F
InChIInChI=1S/C21H21FN2O2/c1-24(13-14-6-8-23-12-14)21(25)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-26-20/h2-5,7,9-11,14,23H,6,8,12-13H2,1H3/t14-/m1/s1
InChIKeyLTVGTCZBCRCMGQ-CQSZACIVSA-N
MW352.41 g/mol
LogP3.92
Rot. Bonds4

About 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 144537743) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID144537743
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3occc3c2)cc1F
InChIInChI=1S/C21H21FN2O2/c1-24(13-14-6-8-23-12-14)21(25)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-26-20/h2-5,7,9-11,14,23H,6,8,12-13H2,1H3/t14-/m1/s1
InChIKeyLTVGTCZBCRCMGQ-CQSZACIVSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (CID 144537743) is 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is CN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3occc3c2)cc1F.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is LTVGTCZBCRCMGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-24(13-14-6-8-23-12-14)21(25)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-26-20/h2-5,7,9-11,14,23H,6,8,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 144537743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).