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2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide

C23H26N2O2 — CID 125179413

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCCN3CC[C@H](c4ccccc4C)C3)c2o1
InChIInChI=1S/C23H26N2O2/c1-16-6-3-4-8-20(16)19-10-12-25(15-19)13-11-24-23(26)21-9-5-7-18-14-17(2)27-22(18)21/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyYPOKBIAOEAUTTQ-IBGZPJMESA-N
MW362.47 g/mol
LogP4.27
Rot. Bonds5

About 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide

2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide (PubChem CID 125179413) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide
PubChem CID125179413
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCCN3CC[C@H](c4ccccc4C)C3)c2o1
InChIInChI=1S/C23H26N2O2/c1-16-6-3-4-8-20(16)19-10-12-25(15-19)13-11-24-23(26)21-9-5-7-18-14-17(2)27-22(18)21/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyYPOKBIAOEAUTTQ-IBGZPJMESA-N
XLogP4.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide (CID 125179413) is 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)NCCN3CC[C@H](c4ccccc4C)C3)c2o1.
What is the InChIKey of 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide?
The InChIKey is YPOKBIAOEAUTTQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-6-3-4-8-20(16)19-10-12-25(15-19)13-11-24-23(26)21-9-5-7-18-14-17(2)27-22(18)21/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide?
2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 125179413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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