5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole

C16H13Cl2N — CID 58915248

IUPAC5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1ccc(C2=NC(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C16H13Cl2N/c17-13-7-6-12(10-14(13)18)16-9-8-15(19-16)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2
InChIKeyHCGLBWFRHXZSGO-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.32
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole

5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 58915248) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID58915248
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1ccc(C2=NC(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C16H13Cl2N/c17-13-7-6-12(10-14(13)18)16-9-8-15(19-16)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2
InChIKeyHCGLBWFRHXZSGO-UHFFFAOYSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (CID 58915248) is 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is Clc1ccc(C2=NC(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is HCGLBWFRHXZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c17-13-7-6-12(10-14(13)18)16-9-8-15(19-16)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2.
What are the key properties of 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 290.19 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).