chempirical

N-(2-Chloroethyl)benzamide

C9H10ClNOCAS 26385-07-9183.64 g/mol

Open in Covalent MOL file
ONHCl
Alkyl halide

Properties

Molecular formula
C9H10ClNO
Molar mass
183.64 g/mol
Exact mass
183.0451 Da
Melting point
105 °C
logP
2.23Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26385-07-9
SMILES
OC(=NCCCl)c1ccccc1
InChIKey
FYQJUYCGPLFWQR-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

Weigh it out

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

Names and synonyms

2 names
  • Benzamide, N-(2-chloroethyl)-
  • NSC 520281

Work with N-(2-Chloroethyl)benzamide

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)benzamide6282-02-658 % similar Betamipron3440-28-657 % similar N-Benzylbenzamide1485-70-756 % similar Dibenzoylhydrazine787-84-852 % similar Hippuric acid495-69-251 % similar Benzohydroxamic acid495-18-148 % similar Benzanilide93-98-148 % similar N,N'-Bis(2-mercaptoethyl)isophthalamide351994-94-047 % similar

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

Same formula

2-Chloro-N-(4-methylphenyl)acetamide16634-82-5 N-Benzyl-2-chloroacetamide2564-06-9 2-Chloro-N-methyl-N-phenylacetamide2620-05-5 4-(Dimethylamino)benzoyl chloride4755-50-4 N-[4-(Chloromethyl)phenyl]acetamide54777-65-0 N-(3-Chloro-2-methylphenyl)acetamide7463-35-6

Elsewhere

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