(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone

C₁₃H₁₂ClNOSCAS 50508-60-6265.75 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₁₂ClNOS
Molar mass: 265.75 g/mol
Exact mass: 265.0328 Da
logP: 3.78Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50508-60-6

SMILES

CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl

InChIKey

RFCCZAHPNNJKKR-UHFFFAOYSA-N

InChI

InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3

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Names and synonyms

1 names

2-Amino-3-O-chlorobenzoyl-5-ethylthiophene

Work with (2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone

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

2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-951 % similar 2-Amino-2',5-dichlorobenzophenone2958-36-346 % similar 2-Chlorobenzophenone5162-03-844 % similar 2-Amino-2',5'-dichlorobenzophenone21723-84-242 % similar 2-Ethylanthraquinone84-51-541 % similar 2,4'-Dichlorobenzophenone85-29-041 % similar 4-(2-Chlorophenyl)-2-ethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine40054-68-041 % similar 1-Chloroanthraquinone82-44-041 % similar

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

Elsewhere

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