1-benzyl-3-(4-bromophenyl)pyrrole

C17H14BrN — CID 175317856

IUPAC1-benzyl-3-(4-bromophenyl)pyrrole
SMILESBrc1ccc(-c2ccn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H14BrN/c18-17-8-6-15(7-9-17)16-10-11-19(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyMDRKDCPFPROWRU-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.97
Rot. Bonds3

About 1-benzyl-3-(4-bromophenyl)pyrrole

1-benzyl-3-(4-bromophenyl)pyrrole (PubChem CID 175317856) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromophenyl)pyrrole.

Molecular Properties

Compound Name1-benzyl-3-(4-bromophenyl)pyrrole
PubChem CID175317856
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name1-benzyl-3-(4-bromophenyl)pyrrole
SMILESBrc1ccc(-c2ccn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H14BrN/c18-17-8-6-15(7-9-17)16-10-11-19(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyMDRKDCPFPROWRU-UHFFFAOYSA-N
XLogP4.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromophenyl)pyrrole?
The IUPAC name of 1-benzyl-3-(4-bromophenyl)pyrrole (CID 175317856) is 1-benzyl-3-(4-bromophenyl)pyrrole.
What is the SMILES notation for 1-benzyl-3-(4-bromophenyl)pyrrole?
The canonical SMILES for 1-benzyl-3-(4-bromophenyl)pyrrole is Brc1ccc(-c2ccn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-3-(4-bromophenyl)pyrrole?
The InChIKey is MDRKDCPFPROWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-17-8-6-15(7-9-17)16-10-11-19(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 1-benzyl-3-(4-bromophenyl)pyrrole?
1-benzyl-3-(4-bromophenyl)pyrrole has a molecular weight of 312.21 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromophenyl)pyrrole is sourced from PubChem (CID 175317856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).