N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H14BrFN2O2S — CID 51158677

IUPACN-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H14BrFN2O2S/c17-10-5-6-12(11(18)9-10)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21)
InChIKeyVVJVTAIDUFPHCS-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.89
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 51158677) has the molecular formula C16H14BrFN2O2S and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID51158677
Molecular FormulaC16H14BrFN2O2S
Molecular Weight397.27 g/mol
Exact Mass395.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H14BrFN2O2S/c17-10-5-6-12(11(18)9-10)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21)
InChIKeyVVJVTAIDUFPHCS-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 51158677) is N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VVJVTAIDUFPHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S/c17-10-5-6-12(11(18)9-10)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51158677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).