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

C16H13ClFN — CID 58915237

IUPAC5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Cl)=N2)cc1
InChIInChI=1S/C16H13ClFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2
InChIKeyZYBXMVBAVFIVJN-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.80
Rot. Bonds2

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

5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915237) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915237
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Cl)=N2)cc1
InChIInChI=1S/C16H13ClFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2
InChIKeyZYBXMVBAVFIVJN-UHFFFAOYSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-chlorophenyl)-2-(4-fluorophenyl)-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

Related Compounds

3-(2-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164426
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
CID 2732892
(2S)-3-(4-fluorophenyl)-2-phenyl-2H-azirine
CID 138980096
(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
CID 138980263
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]methanimine
CID 102257614
1-(2-Chlorophenyl)-3,4-dihydroisoquinoline
CID 10490322
N-benzhydryl-1-(2-chlorophenyl)methanimine
CID 10968763
1-(4-chlorophenyl)-N-[(1R)-1-phenylethyl]methanimine
CID 10999248
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 11413849
Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-
CID 11424717
(1E)-N-Benzyl-1-(4-chlorophenyl)ethan-1-imine
CID 12792992

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915237) is 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3ccccc3Cl)=N2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is ZYBXMVBAVFIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c17-14-4-2-1-3-13(14)16-10-9-15(19-16)11-5-7-12(18)8-6-11/h1-8,15H,9-10H2.
What are the key properties of 5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 273.74 g/mol, XLogP of 4.80, 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-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).