(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide

C21H23ClN4O5 — CID 11374259

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(C(=O)CO)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN4O5/c1-25(19(29)12-27)16-8-6-14(7-9-16)23-20(30)18-10-17(28)11-26(18)21(31)24-15-4-2-13(22)3-5-15/h2-9,17-18,27-28H,10-12H2,1H3,(H,23,30)(H,24,31)/t17-,18-/m1/s1
InChIKeyQZYAUQZZYWEXMZ-QZTJIDSGSA-N
MW446.89 g/mol
LogP1.90
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 11374259) has the molecular formula C21H23ClN4O5 and a molecular weight of 446.89 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID11374259
Molecular FormulaC21H23ClN4O5
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(C(=O)CO)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN4O5/c1-25(19(29)12-27)16-8-6-14(7-9-16)23-20(30)18-10-17(28)11-26(18)21(31)24-15-4-2-13(22)3-5-15/h2-9,17-18,27-28H,10-12H2,1H3,(H,23,30)(H,24,31)/t17-,18-/m1/s1
InChIKeyQZYAUQZZYWEXMZ-QZTJIDSGSA-N
XLogP1.90
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-methylanilino]-2-oxoethyl] acetate
CID 11454627
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202601
(2R,4R)-2-N-[4-[[2-[butyl(methyl)amino]acetyl]-methylamino]phenyl]-1-N-(4-chlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11409733
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11168751
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11260412
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methoxyphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 59768199
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
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
(2S,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11591437
1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide
CID 21026090

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide (CID 11374259) is (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide is CN(C(=O)CO)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QZYAUQZZYWEXMZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H23ClN4O5/c1-25(19(29)12-27)16-8-6-14(7-9-16)23-20(30)18-10-17(28)11-26(18)21(31)24-15-4-2-13(22)3-5-15/h2-9,17-18,27-28H,10-12H2,1H3,(H,23,30)(H,24,31)/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 446.89 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11374259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).