(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C21H20N2O3 — CID 150331566

IUPAC(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1coc2ccccc12)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20(13-15-7-2-1-3-8-15)23-12-6-10-18(23)21(25)22-17-14-26-19-11-5-4-9-16(17)19/h1-5,7-9,11,14,18H,6,10,12-13H2,(H,22,25)/t18-/m0/s1
InChIKeyGPTZLNUWUYZFNX-SFHVURJKSA-N
MW348.40 g/mol
LogP3.61
Rot. Bonds4

About (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 150331566) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID150331566
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1coc2ccccc12)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20(13-15-7-2-1-3-8-15)23-12-6-10-18(23)21(25)22-17-14-26-19-11-5-4-9-16(17)19/h1-5,7-9,11,14,18H,6,10,12-13H2,(H,22,25)/t18-/m0/s1
InChIKeyGPTZLNUWUYZFNX-SFHVURJKSA-N
XLogP3.61
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
(2S)-N-[4-[2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 91593146

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 150331566) is (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(Nc1coc2ccccc12)[C@@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is GPTZLNUWUYZFNX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(13-15-7-2-1-3-8-15)23-12-6-10-18(23)21(25)22-17-14-26-19-11-5-4-9-16(17)19/h1-5,7-9,11,14,18H,6,10,12-13H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 150331566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).