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Chemical ID: 6850584
Chemical ID:
6850584
Name [?]:
N-(3-bromophenyl)-2-(4-phenylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1cccc(c1)Br)Oc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C21H18BrNO2/c1-15(21(24)23-19-9-5-8-18(22)14-19)25-20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-15H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,8,21,25,9,7,16,18,15,19,11,2,20,17,10,6,14,3,12,5,4,13/E:(3,4)(6,7)(10,11)(12,13)/rA:25cCCCONCCCCCCBrOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s2;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18BrNO2 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4534 |
Area: | 573.236 |
Solvation: | -3.87751 |
Coulombic: | -31.7142 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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