Chemical ID: 4207613

c1ccc(c(c1)NC(=O)COc2cccc(c2)Br)F
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

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