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

C16H13BrFN — CID 58915229

IUPAC5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Br)=N2)cc1
InChIInChI=1S/C16H13BrFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2
InChIKeyJHXZAKCVQAYUMP-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.91
Rot. Bonds2

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

5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915229) has the molecular formula C16H13BrFN and a molecular weight of 318.19 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915229
Molecular FormulaC16H13BrFN
Molecular Weight318.19 g/mol
Exact Mass317.02
IUPAC Name5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Br)=N2)cc1
InChIInChI=1S/C16H13BrFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2
InChIKeyJHXZAKCVQAYUMP-UHFFFAOYSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138980263
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CID 166446424
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CID 86185797
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CID 11184910
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CID 12306329
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CID 59315617
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CID 85557139
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CID 86025440
CID 86025440

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915229) is 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3ccccc3Br)=N2)cc1.
What is the InChIKey of 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is JHXZAKCVQAYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2.
What are the key properties of 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 318.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).