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

C17H16BrN — CID 58664414

IUPAC2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H16BrN/c1-12-4-2-3-5-15(12)17-11-10-16(19-17)13-6-8-14(18)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyFYTWMISNBWWZMZ-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.08
Rot. Bonds2

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

2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58664414) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58664414
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H16BrN/c1-12-4-2-3-5-15(12)17-11-10-16(19-17)13-6-8-14(18)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyFYTWMISNBWWZMZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole (CID 58664414) is 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole is Cc1ccccc1C1=NC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is FYTWMISNBWWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-12-4-2-3-5-15(12)17-11-10-16(19-17)13-6-8-14(18)9-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 314.23 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58664414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).