(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide

C25H24ClFN4O4 — CID 44582205

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCO[C@]1(C)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24ClFN4O4/c1-25(35-2)14-21(31(15-25)24(34)28-17-8-6-16(26)7-9-17)23(33)29-20-11-10-18(13-19(20)27)30-12-4-3-5-22(30)32/h3-13,21H,14-15H2,1-2H3,(H,28,34)(H,29,33)/t21-,25-/m1/s1
InChIKeyJDCYSXQYWOYDRV-PXDATVDWSA-N
MW498.94 g/mol
LogP4.28
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 44582205) has the molecular formula C25H24ClFN4O4 and a molecular weight of 498.94 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide
PubChem CID44582205
Molecular FormulaC25H24ClFN4O4
Molecular Weight498.94 g/mol
Exact Mass498.15
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCO[C@]1(C)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24ClFN4O4/c1-25(35-2)14-21(31(15-25)24(34)28-17-8-6-16(26)7-9-17)23(33)29-20-11-10-18(13-19(20)27)30-12-4-3-5-22(30)32/h3-13,21H,14-15H2,1-2H3,(H,28,34)(H,29,33)/t21-,25-/m1/s1
InChIKeyJDCYSXQYWOYDRV-PXDATVDWSA-N
XLogP4.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

Eribaxaban
CID 11634458
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 9912033
(2R,4R)-N1-(4-Chlorophenyl)-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
CID 44582204
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 44582206
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 44582207
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 44582221
(2R,4R)-N1-(4-Chlorophenyl)-4-ethoxy-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-1,2-dicarboxamide
CID 44582222
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11306315
US11008301, Example 83
CID 156193305
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 137359279
US11008301, Example 26
CID 154971641

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide (CID 44582205) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide is CO[C@]1(C)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is JDCYSXQYWOYDRV-PXDATVDWSA-N. The full InChI is InChI=1S/C25H24ClFN4O4/c1-25(35-2)14-21(31(15-25)24(34)28-17-8-6-16(26)7-9-17)23(33)29-20-11-10-18(13-19(20)27)30-12-4-3-5-22(30)32/h3-13,21H,14-15H2,1-2H3,(H,28,34)(H,29,33)/t21-,25-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 498.94 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 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-oxo-1-pyridinyl)phenyl]-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).