Chemical ID: 4286865

Cc1cc(ccc1NC(=O)C(=O)NN=Cc2cccc(c2)Br)Cl
Chemical ID:
4286865
Name [?]:
N'-[(3-bromophenyl)methyleneamino]-N-(4-chloro-2-methyl-phenyl)-oxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C(=O)NN=Cc2cccc(c2)Br)Cl
InChi [?]:
InChI=1/C16H13BrClN3O2/c1-10-7-13(18)5-6-14(10)20-15(22)16(23)21-19-9-11-3-2-4-12(17)8-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,5,6,3,21,15,2,16,20,4,7,9,11,22,23,14,8,13,10,12/rA:23nCCCCCCCNCOCONNCCCCCCCBrCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2787
Area:553.717
Solvation:-2.56423
Coulombic:-45.5552
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:394.65
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):4.11

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