(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

C23H24ClFN4O5 — CID 66593437

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCC1OCCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)C1=O
InChIInChI=1S/C23H24ClFN4O5/c1-13-22(32)28(8-9-34-13)16-6-7-19(18(25)10-16)27-21(31)20-11-17(30)12-29(20)23(33)26-15-4-2-14(24)3-5-15/h2-7,10,13,17,20,30H,8-9,11-12H2,1H3,(H,26,33)(H,27,31)/t13?,17-,20-/m1/s1
InChIKeyYDVKNIOICPJAPC-UNHSHWACSA-N
MW490.92 g/mol
LogP2.84
Rot. Bonds4

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 66593437) has the molecular formula C23H24ClFN4O5 and a molecular weight of 490.92 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID66593437
Molecular FormulaC23H24ClFN4O5
Molecular Weight490.92 g/mol
Exact Mass490.14
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCC1OCCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)C1=O
InChIInChI=1S/C23H24ClFN4O5/c1-13-22(32)28(8-9-34-13)16-6-7-19(18(25)10-16)27-21(31)20-11-17(30)12-29(20)23(33)26-15-4-2-14(24)3-5-15/h2-7,10,13,17,20,30H,8-9,11-12H2,1H3,(H,26,33)(H,27,31)/t13?,17-,20-/m1/s1
InChIKeyYDVKNIOICPJAPC-UNHSHWACSA-N
XLogP2.84
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methyl-3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 66593240
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)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
(2S,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11591437
ethyl 1-[(4-chlorophenyl)carbamoyl]-5-[[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 68812787
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
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)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 21026059

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 66593437) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is CC1OCCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)C1=O.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is YDVKNIOICPJAPC-UNHSHWACSA-N. The full InChI is InChI=1S/C23H24ClFN4O5/c1-13-22(32)28(8-9-34-13)16-6-7-19(18(25)10-16)27-21(31)20-11-17(30)12-29(20)23(33)26-15-4-2-14(24)3-5-15/h2-7,10,13,17,20,30H,8-9,11-12H2,1H3,(H,26,33)(H,27,31)/t13?,17-,20-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 490.92 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methyl-3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 66593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).