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

C13H11F3N2O — CID 71015942

IUPAC3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)C=NC1
InChIInChI=1S/C13H11F3N2O/c1-8-6-17-7-11(8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyFUFTVSRCZZWWQJ-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.04
Rot. Bonds2

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

3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide (PubChem CID 71015942) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide
PubChem CID71015942
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)C=NC1
InChIInChI=1S/C13H11F3N2O/c1-8-6-17-7-11(8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyFUFTVSRCZZWWQJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide (CID 71015942) is 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide is CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)C=NC1.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide?
The InChIKey is FUFTVSRCZZWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-6-17-7-11(8)12(19)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide?
3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide has a molecular weight of 268.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 71015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).