5-[[(2-Aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide

C₂₁H₂₀Cl₂N₆O₃CAS 99593-25-6475.33 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Primary amine

Properties

Molecular formula: C₂₁H₂₀Cl₂N₆O₃
Molar mass: 475.33 g/mol
Exact mass: 474.0974 Da
logP: 2.92Crippen estimate
Polar surface area: 126.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Identifiers

CAS number

99593-25-6

SMILES

CN(C)C(=O)c1nc(CN=C(O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1

InChIKey

KYHFRCPLIGODFH-UHFFFAOYSA-N

InChI

InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)

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Names and synonyms

3 names

1H-1,2,4-Triazole-3-carboxamide, 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-
1H-1,2,4-Triazole-3-carboxamide, 5-[[(aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-
Rilmazafone

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Similar compounds

2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide14405-03-941 % similar Triazolam28911-01-537 % similar 2-Amino-2′,5-dichlorobenzophenone2958-36-336 % similar Delorazepam2894-67-935 % similar Chlorodiazepam2894-68-035 % similar Alprazolam28981-97-733 % similar 2-Chloroacetamido-5-chlorobenzophenone4016-85-733 % similar 2,5-Dichlorobenzophenone16611-67-932 % similar

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

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