4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

C15H15F3N2O — CID 2576736

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-10-3-4-11(2)20(10)13-7-5-12(6-8-13)14(21)19-9-15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyBSZRBUALIRYXHV-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.39
Rot. Bonds3

About 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 2576736) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID2576736
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-10-3-4-11(2)20(10)13-7-5-12(6-8-13)14(21)19-9-15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyBSZRBUALIRYXHV-UHFFFAOYSA-N
XLogP3.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.39
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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Related Compounds

ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 22316848
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36908727
4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
CID 41360035
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 146425021
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 87391037
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 2576736) is 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BSZRBUALIRYXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10-3-4-11(2)20(10)13-7-5-12(6-8-13)14(21)19-9-15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 296.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 2576736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).