N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide

C11H7F3N2O3 — CID 53484393

IUPACN-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)5-8(17)15-16-9(18)6-3-1-2-4-7(6)10(16)19/h1-4H,5H2,(H,15,17)
InChIKeyKZIRMUKADBMYES-UHFFFAOYSA-N
MW272.18 g/mol
LogP1.27
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide

N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide (PubChem CID 53484393) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
PubChem CID53484393
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)5-8(17)15-16-9(18)6-3-1-2-4-7(6)10(16)19/h1-4H,5H2,(H,15,17)
InChIKeyKZIRMUKADBMYES-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
CID 11066794
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510
N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
CID 75526472
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
CID 17080239
4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid
CID 717738
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 965730
N-(1,3-dioxoisoindol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 3776014
N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide
CID 10992372
2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide (CID 53484393) is N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide?
The InChIKey is KZIRMUKADBMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)5-8(17)15-16-9(18)6-3-1-2-4-7(6)10(16)19/h1-4H,5H2,(H,15,17).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide?
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide has a molecular weight of 272.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 53484393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).