(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide

C23H26ClN3O3 — CID 92918138

IUPAC(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O3/c1-23(11-10-21(28)27(23)16-17-2-4-18(24)5-3-17)22(29)25-19-6-8-20(9-7-19)26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyKJJPOEQTNATWJV-HSZRJFAPSA-N
MW427.93 g/mol
LogP3.70
Rot. Bonds5

About (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide

(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 92918138) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID92918138
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O3/c1-23(11-10-21(28)27(23)16-17-2-4-18(24)5-3-17)22(29)25-19-6-8-20(9-7-19)26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyKJJPOEQTNATWJV-HSZRJFAPSA-N
XLogP3.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
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CID 100522699
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 18200139
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
2-(4-chlorophenyl)-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110408879
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6939888
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 92918138) is (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide is C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KJJPOEQTNATWJV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-23(11-10-21(28)27(23)16-17-2-4-18(24)5-3-17)22(29)25-19-6-8-20(9-7-19)26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92918138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).