1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide

C25H23ClFN3O4S — CID 68808032

IUPAC1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C25H23ClFN3O4S/c1-35(33,34)23-7-3-2-5-20(23)19-13-12-18(15-21(19)27)28-24(31)22-6-4-14-30(22)25(32)29-17-10-8-16(26)9-11-17/h2-3,5,7-13,15,22H,4,6,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyFVAGFQYIVJHZRH-UHFFFAOYSA-N
MW515.99 g/mol
LogP5.18
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 68808032) has the molecular formula C25H23ClFN3O4S and a molecular weight of 515.99 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID68808032
Molecular FormulaC25H23ClFN3O4S
Molecular Weight515.99 g/mol
Exact Mass515.11
IUPAC Name1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C25H23ClFN3O4S/c1-35(33,34)23-7-3-2-5-20(23)19-13-12-18(15-21(19)27)28-24(31)22-6-4-14-30(22)25(32)29-17-10-8-16(26)9-11-17/h2-3,5,7-13,15,22H,4,6,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyFVAGFQYIVJHZRH-UHFFFAOYSA-N
XLogP5.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.99
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide
CID 10218167
1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21025983
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 21025982
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R,4S)-1-N-(4-chlorophenyl)-4-fluoro-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 16749090
(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-oxopyrrolidine-1,2-dicarboxamide
CID 16749189
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-(methylamino)pyrrolidine-1,2-dicarboxamide
CID 68807826

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 68808032) is 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is FVAGFQYIVJHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O4S/c1-35(33,34)23-7-3-2-5-20(23)19-13-12-18(15-21(19)27)28-24(31)22-6-4-14-30(22)25(32)29-17-10-8-16(26)9-11-17/h2-3,5,7-13,15,22H,4,6,14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 515.99 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68808032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).