N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide

C13H13FN2O — CID 38549752

IUPACN-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2F)n1C
InChIInChI=1S/C13H13FN2O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,15,17)
InChIKeyJNELFJCBMXBIEF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.72
Rot. Bonds2

About N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide

N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 38549752) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID38549752
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2F)n1C
InChIInChI=1S/C13H13FN2O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,15,17)
InChIKeyJNELFJCBMXBIEF-UHFFFAOYSA-N
XLogP2.72
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide (CID 38549752) is N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2ccccc2F)n1C.
What is the InChIKey of N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is JNELFJCBMXBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 232.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 38549752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).