4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C15H13F3N2O2 — CID 1489220

IUPAC4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O2/c1-9(21)11-6-13(19-8-11)14(22)20-7-10-3-2-4-12(5-10)15(16,17)18/h2-6,8,19H,7H2,1H3,(H,20,22)
InChIKeyOZQDOECWXGDRQW-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.17
Rot. Bonds4

About 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 1489220) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID1489220
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O2/c1-9(21)11-6-13(19-8-11)14(22)20-7-10-3-2-4-12(5-10)15(16,17)18/h2-6,8,19H,7H2,1H3,(H,20,22)
InChIKeyOZQDOECWXGDRQW-UHFFFAOYSA-N
XLogP3.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 1489220) is 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OZQDOECWXGDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-9(21)11-6-13(19-8-11)14(22)20-7-10-3-2-4-12(5-10)15(16,17)18/h2-6,8,19H,7H2,1H3,(H,20,22).
What are the key properties of 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).