N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide

C15H11F6N3O — CID 141486734

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C=C(C(F)(F)F)NC1
InChIInChI=1S/C15H11F6N3O/c1-13(5-11(23-7-13)15(19,20)21)12(25)24-9-3-2-8(6-22)10(4-9)14(16,17)18/h2-5,23H,7H2,1H3,(H,24,25)
InChIKeyXFTAJONFMXNENM-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.57
Rot. Bonds2

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide (PubChem CID 141486734) has the molecular formula C15H11F6N3O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide
PubChem CID141486734
Molecular FormulaC15H11F6N3O
Molecular Weight363.26 g/mol
Exact Mass363.08
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C=C(C(F)(F)F)NC1
InChIInChI=1S/C15H11F6N3O/c1-13(5-11(23-7-13)15(19,20)21)12(25)24-9-3-2-8(6-22)10(4-9)14(16,17)18/h2-5,23H,7H2,1H3,(H,24,25)
InChIKeyXFTAJONFMXNENM-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide (CID 141486734) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide is CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C=C(C(F)(F)F)NC1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide?
The InChIKey is XFTAJONFMXNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O/c1-13(5-11(23-7-13)15(19,20)21)12(25)24-9-3-2-8(6-22)10(4-9)14(16,17)18/h2-5,23H,7H2,1H3,(H,24,25).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-1,2-dihydropyrrole-3-carboxamide is sourced from PubChem (CID 141486734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).