5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C24H20F3NO2 — CID 58915298

IUPAC5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCOc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-20-10-8-19(9-11-20)23-15-14-22(28-23)18-4-2-16(3-5-18)17-6-12-21(13-7-17)30-24(25,26)27/h2-13,22H,14-15H2,1H3
InChIKeyNVVYMECAIPJEGW-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.59
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 58915298) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID58915298
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC Name5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCOc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-20-10-8-19(9-11-20)23-15-14-22(28-23)18-4-2-16(3-5-18)17-6-12-21(13-7-17)30-24(25,26)27/h2-13,22H,14-15H2,1H3
InChIKeyNVVYMECAIPJEGW-UHFFFAOYSA-N
XLogP6.59
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 58915298) is 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is COc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is NVVYMECAIPJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2/c1-29-20-10-8-19(9-11-20)23-15-14-22(28-23)18-4-2-16(3-5-18)17-6-12-21(13-7-17)30-24(25,26)27/h2-13,22H,14-15H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 411.42 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).