1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

C20H22FN3O2 — CID 3219654

IUPAC1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14-4-6-15(7-5-14)13-22-19(25)18-3-2-12-24(18)20(26)23-17-10-8-16(21)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyAGEGWIYCWAMYDD-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.45
Rot. Bonds4

About 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219654) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219654
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14-4-6-15(7-5-14)13-22-19(25)18-3-2-12-24(18)20(26)23-17-10-8-16(21)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyAGEGWIYCWAMYDD-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3219654) is 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is AGEGWIYCWAMYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-4-6-15(7-5-14)13-22-19(25)18-3-2-12-24(18)20(26)23-17-10-8-16(21)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).