4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide

C11H15F3N4O2 — CID 61110785

IUPAC4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H15F3N4O2/c1-17-4-7(15)3-8(17)10(20)18(2)5-9(19)16-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyUEDPJBFOLHZRQJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.36
Rot. Bonds4

About 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide

4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 61110785) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
PubChem CID61110785
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)cn1C
InChIInChI=1S/C11H15F3N4O2/c1-17-4-7(15)3-8(17)10(20)18(2)5-9(19)16-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyUEDPJBFOLHZRQJ-UHFFFAOYSA-N
XLogP0.36
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
2-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 60946474
2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 61110220
2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962159
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide (CID 61110785) is 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is UEDPJBFOLHZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17-4-7(15)3-8(17)10(20)18(2)5-9(19)16-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide?
4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61110785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).