(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H24N2O2 — CID 51927151

IUPAC(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H24N2O2/c24-21(20-14-17-10-4-5-11-19(17)25-20)22-15-18(23-12-6-7-13-23)16-8-2-1-3-9-16/h1-5,8-11,18,20H,6-7,12-15H2,(H,22,24)/t18-,20-/m1/s1
InChIKeyBDNZQEFXDKBMTH-UYAOXDASSA-N
MW336.44 g/mol
LogP2.94
Rot. Bonds5

About (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51927151) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51927151
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H24N2O2/c24-21(20-14-17-10-4-5-11-19(17)25-20)22-15-18(23-12-6-7-13-23)16-8-2-1-3-9-16/h1-5,8-11,18,20H,6-7,12-15H2,(H,22,24)/t18-,20-/m1/s1
InChIKeyBDNZQEFXDKBMTH-UYAOXDASSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122
(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26002911
5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55886623
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51927151) is (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BDNZQEFXDKBMTH-UYAOXDASSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(20-14-17-10-4-5-11-19(17)25-20)22-15-18(23-12-6-7-13-23)16-8-2-1-3-9-16/h1-5,8-11,18,20H,6-7,12-15H2,(H,22,24)/t18-,20-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51927151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).