N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide

C15H16FN3OS — CID 71465849

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCC(F)C1
InChIInChI=1S/C15H16FN3OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,17H2,(H,18,20)
InChIKeyFJHAZKRAKVQPHB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide (PubChem CID 71465849) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide
PubChem CID71465849
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCC(F)C1
InChIInChI=1S/C15H16FN3OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,17H2,(H,18,20)
InChIKeyFJHAZKRAKVQPHB-UHFFFAOYSA-N
XLogP3.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide (CID 71465849) is N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CCC(F)C1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide?
The InChIKey is FJHAZKRAKVQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-5-6-19(9-11)15(20)18-13-8-10(3-4-12(13)17)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9,17H2,(H,18,20).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 71465849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).