2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole

C22H16ClF2N — CID 12979399

IUPAC2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H16ClF2N/c23-16-11-9-15(10-12-16)22-17(14-5-2-1-3-6-14)13-20(26-22)21-18(24)7-4-8-19(21)25/h1-12,17,22H,13H2
InChIKeyMWFZPWXEQMULKV-UHFFFAOYSA-N
MW367.83 g/mol
LogP6.34
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole

2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 12979399) has the molecular formula C22H16ClF2N and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID12979399
Molecular FormulaC22H16ClF2N
Molecular Weight367.83 g/mol
Exact Mass367.09
IUPAC Name2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H16ClF2N/c23-16-11-9-15(10-12-16)22-17(14-5-2-1-3-6-14)13-20(26-22)21-18(24)7-4-8-19(21)25/h1-12,17,22H,13H2
InChIKeyMWFZPWXEQMULKV-UHFFFAOYSA-N
XLogP6.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole (CID 12979399) is 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is MWFZPWXEQMULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N/c23-16-11-9-15(10-12-16)22-17(14-5-2-1-3-6-14)13-20(26-22)21-18(24)7-4-8-19(21)25/h1-12,17,22H,13H2.
What are the key properties of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole?
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 367.83 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12979399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).