2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole

C25H19BrF3NO — CID 142461449

IUPAC2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESCOCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C25H19BrF3NO/c1-31-16-17-5-4-6-19(15-17)23-14-13-22(18-9-11-20(26)12-10-18)30(23)24-8-3-2-7-21(24)25(27,28)29/h2-15H,16H2,1H3
InChIKeyJPXHHQIVFDZQHV-UHFFFAOYSA-N
MW486.33 g/mol
LogP7.74
Rot. Bonds5

About 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole

2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole (PubChem CID 142461449) has the molecular formula C25H19BrF3NO and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole
PubChem CID142461449
Molecular FormulaC25H19BrF3NO
Molecular Weight486.33 g/mol
Exact Mass485.06
IUPAC Name2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESCOCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C25H19BrF3NO/c1-31-16-17-5-4-6-19(15-17)23-14-13-22(18-9-11-20(26)12-10-18)30(23)24-8-3-2-7-21(24)25(27,28)29/h2-15H,16H2,1H3
InChIKeyJPXHHQIVFDZQHV-UHFFFAOYSA-N
XLogP7.74
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2-[3-[difluoromethoxy(difluoro)methyl]phenyl]quinoline
CID 68371816
[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 135367991
Methyl 3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzoate
CID 135368234
2-[[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine
CID 142461412
3-[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 142461487
[4-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 142461497
[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methyl methanesulfonate
CID 148663950
2-[[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine;hydrochloride
CID 154613346
1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-N,N-dimethyl-1-phenylmethoxyethanamine;hydrochloride
CID 176203042
3-[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine;hydrochloride
CID 176203059
2-Methyl-5-(2-phenylmethoxyethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole
CID 154485723
1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-N,N-dimethyl-1-phenylmethoxyethanamine
CID 176203043

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole (CID 142461449) is 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole is COCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is JPXHHQIVFDZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrF3NO/c1-31-16-17-5-4-6-19(15-17)23-14-13-22(18-9-11-20(26)12-10-18)30(23)24-8-3-2-7-21(24)25(27,28)29/h2-15H,16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole?
2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 486.33 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 142461449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).