1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H18FN3O2S — CID 3230247

IUPAC1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23)
InChIKeyXGDISAXYBCALPT-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.20
Rot. Bonds4

About 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230247) has the molecular formula C17H18FN3O2S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230247
Molecular FormulaC17H18FN3O2S
Molecular Weight347.41 g/mol
Exact Mass347.11
IUPAC Name1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23)
InChIKeyXGDISAXYBCALPT-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230247) is 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is XGDISAXYBCALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).