2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H10F3N3O3 — CID 60645311

IUPAC2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc2c(c1)C(=O)N(CC(=O)NCC(F)(F)F)C2=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)5-17-9(19)4-18-10(20)7-2-1-6(16)3-8(7)11(18)21/h1-3H,4-5,16H2,(H,17,19)
InChIKeyKRDZQEBQPQBVFR-UHFFFAOYSA-N
MW301.22 g/mol
LogP0.54
Rot. Bonds3

About 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60645311) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60645311
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc2c(c1)C(=O)N(CC(=O)NCC(F)(F)F)C2=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)5-17-9(19)4-18-10(20)7-2-1-6(16)3-8(7)11(18)21/h1-3H,4-5,16H2,(H,17,19)
InChIKeyKRDZQEBQPQBVFR-UHFFFAOYSA-N
XLogP0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)acetamide
CID 59053920
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80501744
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
5-amino-2-(3-methylpentan-3-yl)isoindole-1,3-dione
CID 114174283
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 113201465
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60645311) is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccc2c(c1)C(=O)N(CC(=O)NCC(F)(F)F)C2=O.
What is the InChIKey of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KRDZQEBQPQBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)5-17-9(19)4-18-10(20)7-2-1-6(16)3-8(7)11(18)21/h1-3H,4-5,16H2,(H,17,19).
What are the key properties of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 301.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60645311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).