2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide

C20H22FN3O2 — CID 3219650

IUPAC2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C20H22FN3O2/c1-13-5-3-6-17(14(13)2)23-19(25)18-7-4-12-24(18)20(26)22-16-10-8-15(21)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMZZURSSWVJLKBD-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.08
Rot. Bonds3

About 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide

2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219650) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219650
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C20H22FN3O2/c1-13-5-3-6-17(14(13)2)23-19(25)18-7-4-12-24(18)20(26)22-16-10-8-15(21)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMZZURSSWVJLKBD-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,3-dimethylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792294
(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
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
tert-butyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3136691
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 3219650) is 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MZZURSSWVJLKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13-5-3-6-17(14(13)2)23-19(25)18-7-4-12-24(18)20(26)22-16-10-8-15(21)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).