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

C20H22FN3O2 — CID 644996

IUPAC1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22FN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyJJHHQKWRXINVPV-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.82
Rot. Bonds5

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

1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 644996) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID644996
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22FN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyJJHHQKWRXINVPV-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 644996) is 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is JJHHQKWRXINVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 644996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).