N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide

C20H21F3N2O — CID 24785205

IUPACN-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCCC12CCC(C1)c1c(NC(=O)c3cn(C)cc3C(F)(F)F)cccc12
InChIInChI=1S/C20H21F3N2O/c1-3-19-8-7-12(9-19)17-14(19)5-4-6-16(17)24-18(26)13-10-25(2)11-15(13)20(21,22)23/h4-6,10-12H,3,7-9H2,1-2H3,(H,24,26)
InChIKeyIXDZWTYPUUILLW-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.23
Rot. Bonds3

About N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide

N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide (PubChem CID 24785205) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
PubChem CID24785205
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCCC12CCC(C1)c1c(NC(=O)c3cn(C)cc3C(F)(F)F)cccc12
InChIInChI=1S/C20H21F3N2O/c1-3-19-8-7-12(9-19)17-14(19)5-4-6-16(17)24-18(26)13-10-25(2)11-15(13)20(21,22)23/h4-6,10-12H,3,7-9H2,1-2H3,(H,24,26)
InChIKeyIXDZWTYPUUILLW-UHFFFAOYSA-N
XLogP5.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide (CID 24785205) is N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide is CCC12CCC(C1)c1c(NC(=O)c3cn(C)cc3C(F)(F)F)cccc12.
What is the InChIKey of N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The InChIKey is IXDZWTYPUUILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-3-19-8-7-12(9-19)17-14(19)5-4-6-16(17)24-18(26)13-10-25(2)11-15(13)20(21,22)23/h4-6,10-12H,3,7-9H2,1-2H3,(H,24,26).
What are the key properties of N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 24785205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).