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Chemical ID: 4748296
Chemical ID:
4748296
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2,2-dichloro-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)C(Cl)Cl)Cl
InChi [?]:
InChI=1/C15H10Cl3NO2/c16-10-6-7-12(19-15(21)14(17)18)11(8-10)13(20)9-4-2-1-3-5-9/h1-8,14H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,10,4,11,9,14,7,18,16,21,19,20,15,8,17/E:(2,3)(4,5)(17,18)/rA:21nCCCCCCCOCCCCCCNCOCClClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2475 |
Area: | 524.148 |
Solvation: | -2.85626 |
Coulombic: | -32.7547 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.604 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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