chempirical

2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone

C15H10Cl2N2O4CAS 180854-85-7353.16 g/mol

Open in Covalent MOL file
ON+OO−NHOClCl
Alkyl halideAmideAryl halideKetoneNitro

Properties

Molecular formula
C15H10Cl2N2O4
Molar mass
353.16 g/mol
Exact mass
352.0018 Da
logP
3.66Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
180854-85-7
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CCl)Cl
InChIKey
YBAJRIMWOFPRTG-UHFFFAOYSA-N
InChI
InChI=1S/C15H10Cl2N2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)

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

Work with 2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone

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-nitro-2′-chlorobenzophenone2011-66-759 % similar 2-Chloro-5-nitrobenzophenone34052-37-454 % similar 2-Chloro-N-(2-nitrophenyl)acetamide10147-70-353 % similar (2-Fluorophenyl)[2-(methylamino)-5-nitrophenyl]methanone735-06-851 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-246 % similar 2′-Chloro-5′-nitroacetophenone23082-50-045 % similar 2-Chloro-5-nitrobenzoic acid2516-96-345 % similar 2,7-Dinitro-9-fluorenone31551-45-845 % similar

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

Elsewhere

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