N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine

C16H13FN2 — CID 58020380

IUPACN-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine
SMILESFc1ccc(NC2=NC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C16H13FN2/c17-13-6-8-14(9-7-13)18-16-11-10-15(19-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyLYSKMZGPYOEZRI-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.08
Rot. Bonds2

About N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine

N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine (PubChem CID 58020380) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine
PubChem CID58020380
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC NameN-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine
SMILESFc1ccc(NC2=NC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C16H13FN2/c17-13-6-8-14(9-7-13)18-16-11-10-15(19-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyLYSKMZGPYOEZRI-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine (CID 58020380) is N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine is Fc1ccc(NC2=NC(c3ccccc3)=CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine?
The InChIKey is LYSKMZGPYOEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-13-6-8-14(9-7-13)18-16-11-10-15(19-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine?
N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine has a molecular weight of 252.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-phenyl-3H-pyrrol-2-amine is sourced from PubChem (CID 58020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).