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

C13H13ClN2O3 — CID 62728074

IUPAC3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H13ClN2O3/c1-7(6-14)11(17)15-8-3-4-9-10(5-8)13(19)16(2)12(9)18/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyIFODSWFDCXIWGZ-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.73
Rot. Bonds3

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

3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 62728074) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID62728074
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H13ClN2O3/c1-7(6-14)11(17)15-8-3-4-9-10(5-8)13(19)16(2)12(9)18/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyIFODSWFDCXIWGZ-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.73
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

2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 76925740
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
(2S)-2-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-methylsulfanylbutanamide
CID 61148066
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 2953826
2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 55811495
N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 43088889
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
CID 55943302
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 62728074) is 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CC(CCl)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is IFODSWFDCXIWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7(6-14)11(17)15-8-3-4-9-10(5-8)13(19)16(2)12(9)18/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 280.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 62728074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).