3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

C12H11ClN2O3 — CID 18070369

IUPAC3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCCl)cc2C1=O
InChIInChI=1S/C12H11ClN2O3/c1-15-11(17)8-3-2-7(6-9(8)12(15)18)14-10(16)4-5-13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyDJPYIFMYRWGQAM-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.48
Rot. Bonds3

About 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 18070369) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID18070369
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCCl)cc2C1=O
InChIInChI=1S/C12H11ClN2O3/c1-15-11(17)8-3-2-7(6-9(8)12(15)18)14-10(16)4-5-13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyDJPYIFMYRWGQAM-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 62728074
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 55378773
2-(1-aminocyclobutyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 79842925
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 18070369) is 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CN1C(=O)c2ccc(NC(=O)CCCl)cc2C1=O.
What is the InChIKey of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is DJPYIFMYRWGQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15-11(17)8-3-2-7(6-9(8)12(15)18)14-10(16)4-5-13/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 266.68 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 18070369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).