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

C16H14ClN — CID 18335732

IUPAC5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1ccccc1C1=NC(c2ccccc2)CC1
InChIInChI=1S/C16H14ClN/c17-14-9-5-4-8-13(14)16-11-10-15(18-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyCZBWVARQTTUVMM-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.66
Rot. Bonds2

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

5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 18335732) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID18335732
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1ccccc1C1=NC(c2ccccc2)CC1
InChIInChI=1S/C16H14ClN/c17-14-9-5-4-8-13(14)16-11-10-15(18-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyCZBWVARQTTUVMM-UHFFFAOYSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (CID 18335732) is 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is Clc1ccccc1C1=NC(c2ccccc2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is CZBWVARQTTUVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c17-14-9-5-4-8-13(14)16-11-10-15(18-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 255.75 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 18335732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).