(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 2197777

IUPAC(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-10-26-18-8-6-17(7-9-18)23-13-14(11-19(23)24)20(25)22-16-5-3-4-15(21)12-16/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyILSHXVJYCAQVIX-CQSZACIVSA-N
MW372.85 g/mol
LogP4.12
Rot. Bonds6

About (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 2197777) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID2197777
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-10-26-18-8-6-17(7-9-18)23-13-14(11-19(23)24)20(25)22-16-5-3-4-15(21)12-16/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyILSHXVJYCAQVIX-CQSZACIVSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
(3S)-N-(4-butoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529015
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
(3S)-1-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562427

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 2197777) is (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ILSHXVJYCAQVIX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-10-26-18-8-6-17(7-9-18)23-13-14(11-19(23)24)20(25)22-16-5-3-4-15(21)12-16/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2197777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).