5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole

C18H16ClN — CID 102119447

IUPAC5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole
SMILESCc1cc(-c2ccc(Cl)cc2)n(C)c1-c1ccccc1
InChIInChI=1S/C18H16ClN/c1-13-12-17(14-8-10-16(19)11-9-14)20(2)18(13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyJENYFMPMJULSDY-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.32
Rot. Bonds2

About 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole

5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole (PubChem CID 102119447) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole
PubChem CID102119447
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole
SMILESCc1cc(-c2ccc(Cl)cc2)n(C)c1-c1ccccc1
InChIInChI=1S/C18H16ClN/c1-13-12-17(14-8-10-16(19)11-9-14)20(2)18(13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyJENYFMPMJULSDY-UHFFFAOYSA-N
XLogP5.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
6-chloro-2-methyl-3-phenylisoquinolin-1-one
CID 12931129
[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828847
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
4-amino-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 105495523
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole?
The IUPAC name of 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole (CID 102119447) is 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole is Cc1cc(-c2ccc(Cl)cc2)n(C)c1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole?
The InChIKey is JENYFMPMJULSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-13-12-17(14-8-10-16(19)11-9-14)20(2)18(13)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole?
5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole has a molecular weight of 281.79 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole is sourced from PubChem (CID 102119447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).