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

C17H15BrClN — CID 58915284

IUPAC5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2CCC(c3ccccc3Br)=N2)c(Cl)c1
InChIInChI=1S/C17H15BrClN/c1-11-6-7-13(15(19)10-11)17-9-8-16(20-17)12-4-2-3-5-14(12)18/h2-7,10,17H,8-9H2,1H3
InChIKeyLEEGBFCIGICCHV-UHFFFAOYSA-N
MW348.67 g/mol
LogP5.74
Rot. Bonds2

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

5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915284) has the molecular formula C17H15BrClN and a molecular weight of 348.67 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915284
Molecular FormulaC17H15BrClN
Molecular Weight348.67 g/mol
Exact Mass347.01
IUPAC Name5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2CCC(c3ccccc3Br)=N2)c(Cl)c1
InChIInChI=1S/C17H15BrClN/c1-11-6-7-13(15(19)10-11)17-9-8-16(20-17)12-4-2-3-5-14(12)18/h2-7,10,17H,8-9H2,1H3
InChIKeyLEEGBFCIGICCHV-UHFFFAOYSA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.67
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole (CID 58915284) is 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole is Cc1ccc(C2CCC(c3ccccc3Br)=N2)c(Cl)c1.
What is the InChIKey of 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is LEEGBFCIGICCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN/c1-11-6-7-13(15(19)10-11)17-9-8-16(20-17)12-4-2-3-5-14(12)18/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 348.67 g/mol, XLogP of 5.74, 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-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).