4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C13H20F3N3O — CID 61107524

IUPAC4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C13H20F3N3O/c1-3-5-6-19(9-13(14,15)16)12(20)11-7-10(17)8-18(11)4-2/h7-8H,3-6,9,17H2,1-2H3
InChIKeySLVNNYNGGLEAID-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.89
Rot. Bonds6

About 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 61107524) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID61107524
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C13H20F3N3O/c1-3-5-6-19(9-13(14,15)16)12(20)11-7-10(17)8-18(11)4-2/h7-8H,3-6,9,17H2,1-2H3
InChIKeySLVNNYNGGLEAID-UHFFFAOYSA-N
XLogP2.89
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61110041
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 61105047
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 61107524) is 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is SLVNNYNGGLEAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-5-6-19(9-13(14,15)16)12(20)11-7-10(17)8-18(11)4-2/h7-8H,3-6,9,17H2,1-2H3.
What are the key properties of 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61107524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).