(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide

C22H27ClN4O5 — CID 142946535

IUPAC(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C1C[C@H](C(=O)NC2CCC(N3CCOCC3=O)CC2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN4O5/c23-14-1-3-16(4-2-14)25-22(31)27-12-18(28)11-19(27)21(30)24-15-5-7-17(8-6-15)26-9-10-32-13-20(26)29/h1-4,15,17,19H,5-13H2,(H,24,30)(H,25,31)/t15?,17?,19-/m1/s1
InChIKeyCMOQKCKHPAMZTI-GXOAENINSA-N
MW462.93 g/mol
LogP1.80
Rot. Bonds4

About (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 142946535) has the molecular formula C22H27ClN4O5 and a molecular weight of 462.93 g/mol. Its IUPAC name is (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide
PubChem CID142946535
Molecular FormulaC22H27ClN4O5
Molecular Weight462.93 g/mol
Exact Mass462.17
IUPAC Name(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C1C[C@H](C(=O)NC2CCC(N3CCOCC3=O)CC2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN4O5/c23-14-1-3-16(4-2-14)25-22(31)27-12-18(28)11-19(27)21(30)24-15-5-7-17(8-6-15)26-9-10-32-13-20(26)29/h1-4,15,17,19H,5-13H2,(H,24,30)(H,25,31)/t15?,17?,19-/m1/s1
InChIKeyCMOQKCKHPAMZTI-GXOAENINSA-N
XLogP1.80
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-3-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 143232706
2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 11712884
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 66593201
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea
CID 58674798
2-N-(4-chlorophenyl)-3-N-[4-(4-methyl-2-oxo-1,4-diazepan-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide;ethane
CID 143868710
(2R,4S)-1-N-(4-chlorophenyl)-4-ethynyl-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11283079
(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-oxopyrrolidine-1,2-dicarboxamide
CID 16749189
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
CID 66593237
2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23993327

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide (CID 142946535) is (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide is O=C1C[C@H](C(=O)NC2CCC(N3CCOCC3=O)CC2)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is CMOQKCKHPAMZTI-GXOAENINSA-N. The full InChI is InChI=1S/C22H27ClN4O5/c23-14-1-3-16(4-2-14)25-22(31)27-12-18(28)11-19(27)21(30)24-15-5-7-17(8-6-15)26-9-10-32-13-20(26)29/h1-4,15,17,19H,5-13H2,(H,24,30)(H,25,31)/t15?,17?,19-/m1/s1.
What are the key properties of (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 462.93 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 142946535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).