(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

C22H24N2O2 — CID 51630288

IUPAC(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H24N2O2/c25-21-14-17(15-24(21)18-10-4-5-11-18)22(26)23-20-13-7-6-12-19(20)16-8-2-1-3-9-16/h1-3,6-9,12-13,17-18H,4-5,10-11,14-15H2,(H,23,26)/t17-/m0/s1
InChIKeyKTPRHHIZLDSJIG-KRWDZBQOSA-N
MW348.45 g/mol
LogP4.08
Rot. Bonds4

About (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 51630288) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID51630288
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H24N2O2/c25-21-14-17(15-24(21)18-10-4-5-11-18)22(26)23-20-13-7-6-12-19(20)16-8-2-1-3-9-16/h1-3,6-9,12-13,17-18H,4-5,10-11,14-15H2,(H,23,26)/t17-/m0/s1
InChIKeyKTPRHHIZLDSJIG-KRWDZBQOSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (CID 51630288) is (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KTPRHHIZLDSJIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21-14-17(15-24(21)18-10-4-5-11-18)22(26)23-20-13-7-6-12-19(20)16-8-2-1-3-9-16/h1-3,6-9,12-13,17-18H,4-5,10-11,14-15H2,(H,23,26)/t17-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51630288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).