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

C22H23F2N — CID 58915234

IUPAC2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H23F2N/c23-18-7-4-8-19(24)22(18)21-14-13-20(25-21)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-12,15,20H,1-3,5-6,13-14H2
InChIKeyHLYJQVOBGZGFBE-UHFFFAOYSA-N
MW339.43 g/mol
LogP6.34
Rot. Bonds3

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

2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915234) has the molecular formula C22H23F2N and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915234
Molecular FormulaC22H23F2N
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC Name2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H23F2N/c23-18-7-4-8-19(24)22(18)21-14-13-20(25-21)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-12,15,20H,1-3,5-6,13-14H2
InChIKeyHLYJQVOBGZGFBE-UHFFFAOYSA-N
XLogP6.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915234) is 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is HLYJQVOBGZGFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N/c23-18-7-4-8-19(24)22(18)21-14-13-20(25-21)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-12,15,20H,1-3,5-6,13-14H2.
What are the key properties of 2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 339.43 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-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).