Chemical ID: 5856615

CC(C)C(C(=O)NN=Cc1ccc(cc1)Br)NC(=O)c2ccc(cc2Cl)Cl
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

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Descriptor Annotations

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