N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide

C13H10F4N2O — CID 166447972

IUPACN-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H10F4N2O/c1-19(9-4-2-8(14)3-5-9)12(20)10-6-7-11(18-10)13(15,16)17/h2-7,18H,1H3
InChIKeyOPIIGFLSSSFUND-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.45
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide

N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide (PubChem CID 166447972) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
PubChem CID166447972
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC NameN-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H10F4N2O/c1-19(9-4-2-8(14)3-5-9)12(20)10-6-7-11(18-10)13(15,16)17/h2-7,18H,1H3
InChIKeyOPIIGFLSSSFUND-UHFFFAOYSA-N
XLogP3.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide (CID 166447972) is N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccc(C(F)(F)F)[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OPIIGFLSSSFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-19(9-4-2-8(14)3-5-9)12(20)10-6-7-11(18-10)13(15,16)17/h2-7,18H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.23 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166447972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).