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Chemical ID: 4207613
Chemical ID:
4207613
Name [?]:
2-(3-bromophenoxy)-N-(2-fluorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)COc2cccc(c2)Br)F
InChi [?]:
InChI=1/C14H11BrFNO2/c15-10-4-3-5-11(8-10)19-9-14(18)17-13-7-2-1-6-12(13)16/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,14,15,13,3,6,17,10,16,12,4,5,8,18,19,7,9,11/rA:19nCCCCCCNCOCOCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrFNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28776 |
Area: | 459.056 |
Solvation: | -4.18864 |
Coulombic: | -33.4536 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.145 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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