Chemical ID: 4748296

c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)C(Cl)Cl)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue