(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole

C23H19ClFN — CID 59787807

IUPAC(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H19ClFN/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-14-22(26-21)23-19(24)3-2-4-20(23)25/h2-12,21H,13-14H2,1H3/t21-/m1/s1
InChIKeyRPSMFHWPZHSFQA-OAQYLSRUSA-N
MW363.86 g/mol
LogP6.78
Rot. Bonds3

About (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole

(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 59787807) has the molecular formula C23H19ClFN and a molecular weight of 363.86 g/mol. Its IUPAC name is (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID59787807
Molecular FormulaC23H19ClFN
Molecular Weight363.86 g/mol
Exact Mass363.12
IUPAC Name(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H19ClFN/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-14-22(26-21)23-19(24)3-2-4-20(23)25/h2-12,21H,13-14H2,1H3/t21-/m1/s1
InChIKeyRPSMFHWPZHSFQA-OAQYLSRUSA-N
XLogP6.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

N-benzhydryl-1-(2-chlorophenyl)methanimine
CID 10968763
N-[(4-Chlorophenyl)methyl]-1,1-diphenylmethanimine
CID 71441307
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 12979398
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole
CID 12979399
5-(2-chloro-6-fluorophenyl)-3-methyl-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 23596501
5-(2-chlorophenyl)-3-methyl-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 23596503
N-[(2R)-1-(2-chlorophenyl)propan-2-yl]-2-(2-fluorophenyl)ethanimine
CID 53788567
5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915218
2-(4-cyclohexylphenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915234
5-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915237
5-(2-chlorophenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58915254
5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915262

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole (CID 59787807) is (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole is Cc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4Cl)=N3)cc2)cc1.
What is the InChIKey of (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is RPSMFHWPZHSFQA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19ClFN/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-14-22(26-21)23-19(24)3-2-4-20(23)25/h2-12,21H,13-14H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 363.86 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-chloro-6-fluorophenyl)-2-[4-(4-methylphenyl)phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 59787807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).