4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide

C₁₁H₁₄ClNO₃CAS 99873-43-5243.69 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether

Properties

Molecular formula: C₁₁H₁₄ClNO₃
Molar mass: 243.69 g/mol
Exact mass: 243.0662 Da
logP: 2.31Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 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

99873-43-5

SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NO

InChIKey

JHSXDAWGLCZYSM-UHFFFAOYSA-N

InChI

InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)

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

Names and synonyms

1 names

Droxinostat

Work with 4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide

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

MCPB94-81-568 % similar 2-(4-Chloro-2-methylphenoxy)acetic acid hydrazide32022-38-156 % similar MCPA94-74-653 % similar MCPA methyl ester2436-73-949 % similar 2,4-DB94-82-648 % similar Mecoprop7085-19-043 % similar Mecoprop93-65-243 % similar 6-Chlorochroman-4-one37674-72-942 % similar

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

Same formula

Alanine, 3-(p-acetylphenyl)-, hydrochloride, L-20299-31-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook