2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione

C₉H₆ClNO₂CAS 17564-64-6195.60 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₉H₆ClNO₂
Molar mass: 195.60 g/mol
Exact mass: 195.0087 Da
Melting point: 153 °C
logP: 1.48Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

17564-64-6

SMILES

O=C1c2ccccc2C(=O)N1CCl

InChIKey

JKGLRGGCGUQNEX-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-
Phthalimide, N-(chloromethyl)-
N-(Chloromethyl)phthalimide
Chloromethylphthalimide
NSC 29558
Phthalimidomethyl chloride
2-(Chloromethyl)isoindoline-1,3-dione
2-(Chloromethyl)isoindole-1,3-dione
2-(Chloromethyl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(Hydroxymethyl)phthalimide118-29-661 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-061 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-761 % similar N-(Bromomethyl)phthalimide5332-26-361 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-557 % similar N-(2-Hydroxyethyl)phthalimide3891-07-457 % similar N-Chlorophthalimide3481-09-256 % similar N-Phthaloylglycine4702-13-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chloroindole-3-carboxylic acid10406-05-0 5-Chloro-1H-indole-2-carboxylic acid10517-21-2 5-Chloro-7-methylisatin14389-06-1 6-Chloro-1H-indole-2-carboxylic acid16732-75-5 7-Chloro-1H-indole-2-carboxylic acid28899-75-4

Elsewhere

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