Chemical ID: 4519251

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2c(cccc2Cl)Cl)Br
Chemical ID:
4519251
Name [?]:
2-bromo-N-[(2,6-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2c(cccc2Cl)Cl)Br
InChi [?]:
InChI=1/C16H12BrCl2N3O2/c17-12-5-2-1-4-10(12)16(24)20-9-15(23)22-21-8-11-13(18)6-3-7-14(11)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,6,3,18,20,15,10,5,16,4,17,21,11,7,24,23,22,9,14,13,12,8/E:(6,7)(13,14)(18,19)/rA:24nCCCCCCCONCCONNCCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrCl2N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2909
Area:573.777
Solvation:-4.05353
Coulombic:-41.7185
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:429.095
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.21
LogP (Chemaxon):3.99

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