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Chemical ID: 4198503
Chemical ID:
4198503
Name [?]:
5-bromo-N-(3-chloro-2-methyl-phenyl)-2-methoxy-benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2cc(ccc2OC)Br
InChi [?]:
InChI=1/C15H13BrClNO2/c1-9-12(17)4-3-5-13(9)18-15(19)11-8-10(16)6-7-14(11)20-2/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,5,6,4,15,16,13,2,14,12,7,3,17,10,20,8,9,11,18/rA:20nCCCCCCCClNCOCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53805 |
Area: | 484.521 |
Solvation: | -3.57497 |
Coulombic: | -28.851 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.626 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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