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

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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).