2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C24H19F3N2O — CID 59808080

IUPAC2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N2O/c1-15-14-19(16(2)29(15)22-13-6-5-11-20(22)24(25,26)27)23(30)28-21-12-7-9-17-8-3-4-10-18(17)21/h3-14H,1-2H3,(H,28,30)
InChIKeyPSKIBDYNHSIHDY-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.52
Rot. Bonds3

About 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 59808080) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID59808080
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N2O/c1-15-14-19(16(2)29(15)22-13-6-5-11-20(22)24(25,26)27)23(30)28-21-12-7-9-17-8-3-4-10-18(17)21/h3-14H,1-2H3,(H,28,30)
InChIKeyPSKIBDYNHSIHDY-UHFFFAOYSA-N
XLogP6.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 59808080) is 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is PSKIBDYNHSIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-15-14-19(16(2)29(15)22-13-6-5-11-20(22)24(25,26)27)23(30)28-21-12-7-9-17-8-3-4-10-18(17)21/h3-14H,1-2H3,(H,28,30).
What are the key properties of 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-naphthalen-1-yl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59808080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).