(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C22H25ClN2O3 — CID 7299277

IUPAC(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c1-22(2,3)15-5-10-19(28-4)18(12-15)24-21(27)14-11-20(26)25(13-14)17-8-6-16(23)7-9-17/h5-10,12,14H,11,13H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyDIWZYPPIUZLIDV-CQSZACIVSA-N
MW400.91 g/mol
LogP4.64
Rot. Bonds4

About (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7299277) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7299277
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c1-22(2,3)15-5-10-19(28-4)18(12-15)24-21(27)14-11-20(26)25(13-14)17-8-6-16(23)7-9-17/h5-10,12,14H,11,13H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyDIWZYPPIUZLIDV-CQSZACIVSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155544
(3S)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7278884
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55883534
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
1-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187278
(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1102170
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572792

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 7299277) is (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DIWZYPPIUZLIDV-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-22(2,3)15-5-10-19(28-4)18(12-15)24-21(27)14-11-20(26)25(13-14)17-8-6-16(23)7-9-17/h5-10,12,14H,11,13H2,1-4H3,(H,24,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7299277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).