N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide

C14H15ClN2O3 — CID 113201500

IUPACN-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H15ClN2O3/c1-14(2,3)16-11(18)7-17-12(19)9-5-4-8(15)6-10(9)13(17)20/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyZBIQBPJNTGNSLF-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.85
Rot. Bonds2

About N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide

N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201500) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201500
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H15ClN2O3/c1-14(2,3)16-11(18)7-17-12(19)9-5-4-8(15)6-10(9)13(17)20/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyZBIQBPJNTGNSLF-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.85
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

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 113201452
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
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-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 113201440
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201500) is N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide is CC(C)(C)NC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is ZBIQBPJNTGNSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-14(2,3)16-11(18)7-17-12(19)9-5-4-8(15)6-10(9)13(17)20/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide?
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).