N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide

C16H20N2O2 — CID 106607339

IUPACN,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CC3CCCN3)cc2c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-14-12(8-11)9-15(20-14)16(19)18(2)10-13-4-3-7-17-13/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3
InChIKeySLKDIWVUAGVPGX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.57
Rot. Bonds3

About N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide

N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 106607339) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID106607339
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CC3CCCN3)cc2c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-14-12(8-11)9-15(20-14)16(19)18(2)10-13-4-3-7-17-13/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3
InChIKeySLKDIWVUAGVPGX-UHFFFAOYSA-N
XLogP2.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106607527

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 106607339) is N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)CC3CCCN3)cc2c1.
What is the InChIKey of N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is SLKDIWVUAGVPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-14-12(8-11)9-15(20-14)16(19)18(2)10-13-4-3-7-17-13/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106607339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).