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Chemical ID: 5642620
Chemical ID:
5642620
Name [?]:
3-bromo-N-(2-bromo-4-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C14H11Br2NO/c1-9-5-6-13(12(16)7-9)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,17,2,12,16,6,5,10,18,8,9,11/rA:18nCCCCCCCBrNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96564 |
Area: | 455.834 |
Solvation: | -1.43021 |
Coulombic: | -23.7297 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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