N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C28H24F4N2O2 — CID 24880100

IUPACN-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2c(C)cn(Cc3ccc(F)cc3)c2NC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H24F4N2O2/c1-18-16-34(17-19-6-10-23(29)11-7-19)27(26(18)21-8-12-24(36-2)13-9-21)33-25(35)15-20-4-3-5-22(14-20)28(30,31)32/h3-14,16H,15,17H2,1-2H3,(H,33,35)
InChIKeyNDJDMYNGXPKBCI-UHFFFAOYSA-N
MW496.50 g/mol
LogP6.86
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24880100) has the molecular formula C28H24F4N2O2 and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID24880100
Molecular FormulaC28H24F4N2O2
Molecular Weight496.50 g/mol
Exact Mass496.18
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2c(C)cn(Cc3ccc(F)cc3)c2NC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H24F4N2O2/c1-18-16-34(17-19-6-10-23(29)11-7-19)27(26(18)21-8-12-24(36-2)13-9-21)33-25(35)15-20-4-3-5-22(14-20)28(30,31)32/h3-14,16H,15,17H2,1-2H3,(H,33,35)
InChIKeyNDJDMYNGXPKBCI-UHFFFAOYSA-N
XLogP6.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.50
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 24880100) is N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2c(C)cn(Cc3ccc(F)cc3)c2NC(=O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NDJDMYNGXPKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N2O2/c1-18-16-34(17-19-6-10-23(29)11-7-19)27(26(18)21-8-12-24(36-2)13-9-21)33-25(35)15-20-4-3-5-22(14-20)28(30,31)32/h3-14,16H,15,17H2,1-2H3,(H,33,35).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 496.50 g/mol, XLogP of 6.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24880100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).