2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide

C14H16F3N3O2 — CID 71923583

IUPAC2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide
SMILESCc1cccc(NC2CCN(CC(F)(F)F)C2=O)c1C(N)=O
InChIInChI=1S/C14H16F3N3O2/c1-8-3-2-4-9(11(8)12(18)21)19-10-5-6-20(13(10)22)7-14(15,16)17/h2-4,10,19H,5-7H2,1H3,(H2,18,21)
InChIKeyCHYPQDHWZXRSFM-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide

2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide (PubChem CID 71923583) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide
PubChem CID71923583
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide
SMILESCc1cccc(NC2CCN(CC(F)(F)F)C2=O)c1C(N)=O
InChIInChI=1S/C14H16F3N3O2/c1-8-3-2-4-9(11(8)12(18)21)19-10-5-6-20(13(10)22)7-14(15,16)17/h2-4,10,19H,5-7H2,1H3,(H2,18,21)
InChIKeyCHYPQDHWZXRSFM-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide?
The IUPAC name of 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide (CID 71923583) is 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide is Cc1cccc(NC2CCN(CC(F)(F)F)C2=O)c1C(N)=O.
What is the InChIKey of 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide?
The InChIKey is CHYPQDHWZXRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8-3-2-4-9(11(8)12(18)21)19-10-5-6-20(13(10)22)7-14(15,16)17/h2-4,10,19H,5-7H2,1H3,(H2,18,21).
What are the key properties of 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide?
2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide has a molecular weight of 315.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 71923583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).