1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C22H23ClFN5O4 — CID 10127923

IUPAC1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3CCNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23ClFN5O4/c1-33-16-11-19(29(12-16)22(32)26-14-4-2-13(23)3-5-14)20(30)27-18-7-6-15(10-17(18)24)28-9-8-25-21(28)31/h2-7,10,16,19H,8-9,11-12H2,1H3,(H,25,31)(H,26,32)(H,27,30)
InChIKeyDARJTXPFVBREIV-UHFFFAOYSA-N
MW475.91 g/mol
LogP3.27
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 10127923) has the molecular formula C22H23ClFN5O4 and a molecular weight of 475.91 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID10127923
Molecular FormulaC22H23ClFN5O4
Molecular Weight475.91 g/mol
Exact Mass475.14
IUPAC Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3CCNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23ClFN5O4/c1-33-16-11-19(29(12-16)22(32)26-14-4-2-13(23)3-5-14)20(30)27-18-7-6-15(10-17(18)24)28-9-8-25-21(28)31/h2-7,10,16,19H,8-9,11-12H2,1H3,(H,25,31)(H,26,32)(H,27,30)
InChIKeyDARJTXPFVBREIV-UHFFFAOYSA-N
XLogP3.27
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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)-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide
CID 44582205
(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
US11008301, Example 81
CID 156193321
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 44347864

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 10127923) is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is COC1CC(C(=O)Nc2ccc(N3CCNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is DARJTXPFVBREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O4/c1-33-16-11-19(29(12-16)22(32)26-14-4-2-13(23)3-5-14)20(30)27-18-7-6-15(10-17(18)24)28-9-8-25-21(28)31/h2-7,10,16,19H,8-9,11-12H2,1H3,(H,25,31)(H,26,32)(H,27,30).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 475.91 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10127923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).