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Chemical ID: 4161472
Chemical ID:
4161472
Name [?]:
2-(2-bromophenoxy)-N-(5-chloro-2-methoxy-phenyl)-acetamide
SMILES [?]:
COc1ccc(cc1NC(=O)COc2ccccc2Br)Cl
InChi [?]:
InChI=1/C15H13BrClNO3/c1-20-14-7-6-10(17)8-12(14)18-15(19)9-21-13-5-3-2-4-11(13)16/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,4,7,12,6,19,8,14,3,10,20,21,9,11,2,13/rA:21nCOCCCCCCNCOCOCCCCCCBrCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02783 |
Area: | 517.835 |
Solvation: | -4.91804 |
Coulombic: | -36.6808 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.625 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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