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

C12H9F3N2O — CID 9400205

IUPACN-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc[nH]1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h1-7,16H,(H,17,18)
InChIKeyCKEDLYPZAQTKLJ-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.29
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 9400205) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID9400205
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc[nH]1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h1-7,16H,(H,17,18)
InChIKeyCKEDLYPZAQTKLJ-UHFFFAOYSA-N
XLogP3.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1H-pyrrole-2-carboxamide
CID 97237297
N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-(6-sulfanylidene-1H-pyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 82055428
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 9400205) is N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc[nH]1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CKEDLYPZAQTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h1-7,16H,(H,17,18).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 254.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9400205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).