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

C22H24N2O2 — CID 71276798

IUPAC4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(-c2ccc3occc3c2)ccc1C(=O)N(C)C[C@@H]1CCNC1
InChIInChI=1S/C22H24N2O2/c1-15-11-17(18-4-6-21-19(12-18)8-10-26-21)3-5-20(15)22(25)24(2)14-16-7-9-23-13-16/h3-6,8,10-12,16,23H,7,9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyDFEKODDBXYGSAC-MRXNPFEDSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds4

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

4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 71276798) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID71276798
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(-c2ccc3occc3c2)ccc1C(=O)N(C)C[C@@H]1CCNC1
InChIInChI=1S/C22H24N2O2/c1-15-11-17(18-4-6-21-19(12-18)8-10-26-21)3-5-20(15)22(25)24(2)14-16-7-9-23-13-16/h3-6,8,10-12,16,23H,7,9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyDFEKODDBXYGSAC-MRXNPFEDSA-N
XLogP4.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
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)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (CID 71276798) is 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is Cc1cc(-c2ccc3occc3c2)ccc1C(=O)N(C)C[C@@H]1CCNC1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is DFEKODDBXYGSAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-11-17(18-4-6-21-19(12-18)8-10-26-21)3-5-20(15)22(25)24(2)14-16-7-9-23-13-16/h3-6,8,10-12,16,23H,7,9,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 4.09, 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)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 71276798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).