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

C17H14ClF2N — CID 12979398

IUPAC2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CC(c2c(F)cccc2F)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2N/c1-10-9-15(16-13(19)3-2-4-14(16)20)21-17(10)11-5-7-12(18)8-6-11/h2-8,10,17H,9H2,1H3
InChIKeyHGAQGXPEHJLBNB-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.19
Rot. Bonds2

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

2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 12979398) has the molecular formula C17H14ClF2N and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
PubChem CID12979398
Molecular FormulaC17H14ClF2N
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CC(c2c(F)cccc2F)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2N/c1-10-9-15(16-13(19)3-2-4-14(16)20)21-17(10)11-5-7-12(18)8-6-11/h2-8,10,17H,9H2,1H3
InChIKeyHGAQGXPEHJLBNB-UHFFFAOYSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.19
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-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole (CID 12979398) is 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole is CC1CC(c2c(F)cccc2F)=NC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is HGAQGXPEHJLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N/c1-10-9-15(16-13(19)3-2-4-14(16)20)21-17(10)11-5-7-12(18)8-6-11/h2-8,10,17H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 305.76 g/mol, XLogP of 5.19, 2 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-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12979398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).