[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone

C19H14F3NO2 — CID 166438740

IUPAC[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2C(=O)n2cccc2)cc1
InChIInChI=1S/C19H14F3NO2/c1-25-15-7-4-13(5-8-15)16-9-6-14(19(20,21)22)12-17(16)18(24)23-10-2-3-11-23/h2-12H,1H3
InChIKeyISSDWKZJUHFLMK-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.87
Rot. Bonds3

About [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone

[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone (PubChem CID 166438740) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone
PubChem CID166438740
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2C(=O)n2cccc2)cc1
InChIInChI=1S/C19H14F3NO2/c1-25-15-7-4-13(5-8-15)16-9-6-14(19(20,21)22)12-17(16)18(24)23-10-2-3-11-23/h2-12H,1H3
InChIKeyISSDWKZJUHFLMK-UHFFFAOYSA-N
XLogP4.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone (CID 166438740) is [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone is COc1ccc(-c2ccc(C(F)(F)F)cc2C(=O)n2cccc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone?
The InChIKey is ISSDWKZJUHFLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-25-15-7-4-13(5-8-15)16-9-6-14(19(20,21)22)12-17(16)18(24)23-10-2-3-11-23/h2-12H,1H3.
What are the key properties of [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone?
[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone has a molecular weight of 345.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone is sourced from PubChem (CID 166438740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).