2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

C22H16BrF2N — CID 58915257

IUPAC2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C22H16BrF2N/c23-17-10-8-15(9-11-17)14-4-6-16(7-5-14)20-12-13-21(26-20)22-18(24)2-1-3-19(22)25/h1-11,20H,12-13H2
InChIKeyLOWFEVOQXCCWNL-UHFFFAOYSA-N
MW412.28 g/mol
LogP6.72
Rot. Bonds3

About 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915257) has the molecular formula C22H16BrF2N and a molecular weight of 412.28 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915257
Molecular FormulaC22H16BrF2N
Molecular Weight412.28 g/mol
Exact Mass411.04
IUPAC Name2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C22H16BrF2N/c23-17-10-8-15(9-11-17)14-4-6-16(7-5-14)20-12-13-21(26-20)22-18(24)2-1-3-19(22)25/h1-11,20H,12-13H2
InChIKeyLOWFEVOQXCCWNL-UHFFFAOYSA-N
XLogP6.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915257) is 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is LOWFEVOQXCCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF2N/c23-17-10-8-15(9-11-17)14-4-6-16(7-5-14)20-12-13-21(26-20)22-18(24)2-1-3-19(22)25/h1-11,20H,12-13H2.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 412.28 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).