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Chemical ID: 5856615
Chemical ID:
5856615
Name [?]:
N-[1-[(4-bromophenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-2,4-dichloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)Br)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C19H18BrCl2N3O2/c1-11(2)17(24-18(26)15-8-7-14(21)9-16(15)22)19(27)25-23-10-12-3-5-13(20)6-4-12/h3-11,17H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,11,15,12,14,22,21,24,9,2,10,13,23,20,25,4,18,5,16,27,26,8,17,7,19,6/E:(1,2)(3,4)(5,6)/rA:27cCCCCCONNCCCCCCCBrNCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18BrCl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.195 |
Area: | 636.754 |
Solvation: | -3.72387 |
Coulombic: | -42.8361 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 471.175 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.39 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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