5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

C16H13ClFN — CID 58915324

IUPAC5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cccc(Cl)c3)=N2)cc1
InChIInChI=1S/C16H13ClFN/c17-13-3-1-2-12(10-13)16-9-8-15(19-16)11-4-6-14(18)7-5-11/h1-7,10,15H,8-9H2
InChIKeyGFOKSWKIZOHKGT-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.80
Rot. Bonds2

About 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915324) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915324
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cccc(Cl)c3)=N2)cc1
InChIInChI=1S/C16H13ClFN/c17-13-3-1-2-12(10-13)16-9-8-15(19-16)11-4-6-14(18)7-5-11/h1-7,10,15H,8-9H2
InChIKeyGFOKSWKIZOHKGT-UHFFFAOYSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915324) is 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3cccc(Cl)c3)=N2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GFOKSWKIZOHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c17-13-3-1-2-12(10-13)16-9-8-15(19-16)11-4-6-14(18)7-5-11/h1-7,10,15H,8-9H2.
What are the key properties of 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 273.74 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).