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

C14H15ClN2O3 — CID 113201438

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H15ClN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyIZEQGEFIWLBMAU-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.71
Rot. Bonds4

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

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 113201438) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID113201438
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H15ClN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyIZEQGEFIWLBMAU-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.71
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-(2-methylpropyl)acetamide
CID 27539267
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
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
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 113201465
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
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-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (CID 113201438) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is IZEQGEFIWLBMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113201438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).