N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide

C₉H₈ClNO₃CAS 227199-07-7213.62 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Amide Ether

Properties

Molecular formula: C₉H₈ClNO₃
Molar mass: 213.62 g/mol
Exact mass: 213.0193 Da
logP: 1.59Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

227199-07-7

SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCl

InChIKey

HBIYZYYNHWRQMC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide

Work with N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide

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

N1-(3,4-Dichlorophenyl)-2-chloroacetamide20149-84-256 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-653 % similar 2-Chloro-N-(3-chlorophenyl)acetamide2564-05-853 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-551 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-551 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-251 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-251 % similar 2-Chloro-N-(3-fluorophenyl)acetamide350-81-251 % similar

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

Same formula

4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid123654-26-2 2-(Acetylamino)-6-chlorobenzoic acid19407-42-2

Elsewhere

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