4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide

C16H16F3N3O2 — CID 99773603

IUPAC4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2NCC(F)(F)F)n(C)c1
InChIInChI=1S/C16H16F3N3O2/c1-10(23)11-7-14(22(2)8-11)15(24)21-13-6-4-3-5-12(13)20-9-16(17,18)19/h3-8,20H,9H2,1-2H3,(H,21,24)
InChIKeyCAUNKAMIXKUNNN-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.45
Rot. Bonds5

About 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide (PubChem CID 99773603) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
PubChem CID99773603
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2NCC(F)(F)F)n(C)c1
InChIInChI=1S/C16H16F3N3O2/c1-10(23)11-7-14(22(2)8-11)15(24)21-13-6-4-3-5-12(13)20-9-16(17,18)19/h3-8,20H,9H2,1-2H3,(H,21,24)
InChIKeyCAUNKAMIXKUNNN-UHFFFAOYSA-N
XLogP3.45
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]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

4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 86929687
tert-butyl N-[[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 86853941
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43352735
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
CID 47076260
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 51103032
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide (CID 99773603) is 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2ccccc2NCC(F)(F)F)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide?
The InChIKey is CAUNKAMIXKUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10(23)11-7-14(22(2)8-11)15(24)21-13-6-4-3-5-12(13)20-9-16(17,18)19/h3-8,20H,9H2,1-2H3,(H,21,24).
What are the key properties of 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 99773603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).