(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C78H77Cl3N14O17 — CID 162075306

IUPAC(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNc1ccc(O[C@H]2C[C@H](C(=O)Nc3ccc(N4CCOCC4=O)cc3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN5O7.C28H28ClN5O5.C22H23ClN4O5/c29-18-1-3-20(4-2-18)31-28(37)33-16-24(41-23-11-9-22(10-12-23)34(38)39)15-25(33)27(36)30-19-5-7-21(8-6-19)32-13-14-40-17-26(32)35;29-18-1-5-21(6-2-18)32-28(37)34-16-24(39-23-11-3-19(30)4-12-23)15-25(34)27(36)31-20-7-9-22(10-8-20)33-13-14-38-17-26(33)35;23-14-1-3-16(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/h1-12,24-25H,13-17H2,(H,30,36)(H,31,37);1-12,24-25H,13-17,30H2,(H,31,36)(H,32,37);1-8,18-19,28H,9-13H2,(H,24,30)(H,25,31)/t2*24-,25+;18-,19-/m001/s1
InChIKeyZBPYDEHZRDWNSD-SNMYNIIWSA-N
MW1588.91 g/mol
LogP10.59
Rot. Bonds17

About (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide

(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 162075306) has the molecular formula C78H77Cl3N14O17 and a molecular weight of 1588.91 g/mol. Its IUPAC name is (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID162075306
Molecular FormulaC78H77Cl3N14O17
Molecular Weight1588.91 g/mol
Exact Mass1586.47
IUPAC Name(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNc1ccc(O[C@H]2C[C@H](C(=O)Nc3ccc(N4CCOCC4=O)cc3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN5O7.C28H28ClN5O5.C22H23ClN4O5/c29-18-1-3-20(4-2-18)31-28(37)33-16-24(41-23-11-9-22(10-12-23)34(38)39)15-25(33)27(36)30-19-5-7-21(8-6-19)32-13-14-40-17-26(32)35;29-18-1-5-21(6-2-18)32-28(37)34-16-24(39-23-11-3-19(30)4-12-23)15-25(34)27(36)31-20-7-9-22(10-8-20)33-13-14-38-17-26(33)35;23-14-1-3-16(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/h1-12,24-25H,13-17H2,(H,30,36)(H,31,37);1-12,24-25H,13-17,30H2,(H,31,36)(H,32,37);1-8,18-19,28H,9-13H2,(H,24,30)(H,25,31)/t2*24-,25+;18-,19-/m001/s1
InChIKeyZBPYDEHZRDWNSD-SNMYNIIWSA-N
XLogP10.59
TPSA380.79 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001588.91
LogP ≤ 510.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 66593201
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
CID 66593237
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-(2,2,2-trifluoroethoxy)pyrrolidine-1,2-dicarboxamide
CID 59646129
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 72812814
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11352019
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methyl-3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 66593240
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325
(2R,4S)-1-N-(4-chlorophenyl)-4-ethynyl-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11283079
(2S,4S)-4-hydroxy-1-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714247
4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride
CID 159774212
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 162075306) is (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Nc1ccc(O[C@H]2C[C@H](C(=O)Nc3ccc(N4CCOCC4=O)cc3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1.O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZBPYDEHZRDWNSD-SNMYNIIWSA-N. The full InChI is InChI=1S/C28H26ClN5O7.C28H28ClN5O5.C22H23ClN4O5/c29-18-1-3-20(4-2-18)31-28(37)33-16-24(41-23-11-9-22(10-12-23)34(38)39)15-25(33)27(36)30-19-5-7-21(8-6-19)32-13-14-40-17-26(32)35;29-18-1-5-21(6-2-18)32-28(37)34-16-24(39-23-11-3-19(30)4-12-23)15-25(34)27(36)31-20-7-9-22(10-8-20)33-13-14-38-17-26(33)35;23-14-1-3-16(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/h1-12,24-25H,13-17H2,(H,30,36)(H,31,37);1-12,24-25H,13-17,30H2,(H,31,36)(H,32,37);1-8,18-19,28H,9-13H2,(H,24,30)(H,25,31)/t2*24-,25+;18-,19-/m001/s1.
What are the key properties of (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 1588.91 g/mol, XLogP of 10.59, 17 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(4-aminophenoxy)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4S)-1-N-(4-chlorophenyl)-4-(4-nitrophenoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 162075306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).