Chemical ID: 6781381

Cc1cccc(c1NC(=O)c2ccccc2)NC(=O)c3ccccc3Br
Chemical ID:
6781381
Name [?]:
N-(2-benzamido-3-methyl-phenyl)-2-bromo-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2ccccc2)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C21H17BrN2O2/c1-14-8-7-13-18(23-21(26)16-11-5-6-12-17(16)22)19(14)24-20(25)15-9-3-2-4-10-15/h2-13H,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,23,4,3,12,16,21,24,5,2,11,20,25,6,7,9,18,26,17,8,10,19/E:(3,4)(9,10)/rA:26nCCCCCCCNCOCCCCCCNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s6;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1365
Area:563.654
Solvation:-2.9548
Coulombic:-45.4834
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.276
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.99
LogP (Chemaxon):4.77

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