1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

C91H106BrClF3N11O7 — CID 158584470

IUPAC1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Br)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O.C18H21BrN2O.C18H21ClN2O.C18H20F2N2O.C18H21N3O3/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;2*1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16;1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-13-11-17(18(22)12-19-9-3-4-10-19)14(2)20(13)15-5-7-16(8-6-15)21(23)24/h6-9,12H,3-5,10-11,13H2,1-2H3;2*5-8,11H,3-4,9-10,12H2,1-2H3;5-6,9-10H,3-4,7-8,11H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyHTQQXTMFKMFJJM-UHFFFAOYSA-N
MW1638.27 g/mol
LogP18.99
Rot. Bonds21

About 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 158584470) has the molecular formula C91H106BrClF3N11O7 and a molecular weight of 1638.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
PubChem CID158584470
Molecular FormulaC91H106BrClF3N11O7
Molecular Weight1638.27 g/mol
Exact Mass1635.71
IUPAC Name1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Br)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O.C18H21BrN2O.C18H21ClN2O.C18H20F2N2O.C18H21N3O3/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;2*1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16;1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-13-11-17(18(22)12-19-9-3-4-10-19)14(2)20(13)15-5-7-16(8-6-15)21(23)24/h6-9,12H,3-5,10-11,13H2,1-2H3;2*5-8,11H,3-4,9-10,12H2,1-2H3;5-6,9-10H,3-4,7-8,11H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyHTQQXTMFKMFJJM-UHFFFAOYSA-N
XLogP18.99
TPSA169.34 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001638.27
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (CID 158584470) is 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Br)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is HTQQXTMFKMFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.C18H21BrN2O.C18H21ClN2O.C18H20F2N2O.C18H21N3O3/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;2*1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16;1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-13-11-17(18(22)12-19-9-3-4-10-19)14(2)20(13)15-5-7-16(8-6-15)21(23)24/h6-9,12H,3-5,10-11,13H2,1-2H3;2*5-8,11H,3-4,9-10,12H2,1-2H3;5-6,9-10H,3-4,7-8,11H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 1638.27 g/mol, XLogP of 18.99, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 158584470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).