1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H18FN3O2S — CID 3219648

IUPAC1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,19,22)(H,20,23)
InChIKeyKKLPFWWXRZPOCA-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.20
Rot. Bonds4

About 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219648) has the molecular formula C17H18FN3O2S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219648
Molecular FormulaC17H18FN3O2S
Molecular Weight347.41 g/mol
Exact Mass347.11
IUPAC Name1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,19,22)(H,20,23)
InChIKeyKKLPFWWXRZPOCA-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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Related Compounds

1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
Piperidine-1,3-dicarboxylic acid 1-phenylamide 3-[(thiophen-2-ylmethyl)-amide]
CID 3222834
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3717682
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(3-fluoro-phenyl)-amide
CID 1433196
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 2622886
1-(3-Phenyl-ureido)-cyclohexanecarboxylic acid (thiophen-2-ylmethyl)-amide
CID 3222702

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3219648) is 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is KKLPFWWXRZPOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h2-3,5-8,10,15H,1,4,9,11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-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-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).