Chemical ID: 6326794

Cc1ccc(cc1Br)C(=O)c2ccc(c(c2)F)N3CCOCC3
Chemical ID:
6326794
Name [?]:
(3-bromo-4-methyl-phenyl)-(3-fluoro-4-morpholino-phenyl)-methanone
SMILES [?]:
Cc1ccc(cc1Br)C(=O)c2ccc(c(c2)F)N3CCOCC3
InChi [?]:
InChI=1/C18H17BrFNO2/c1-12-2-3-13(10-15(12)19)18(22)14-4-5-17(16(20)11-14)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,19,23,20,22,6,16,2,5,11,7,15,14,9,8,17,18,10,21/E:(6,7)(8,9)/rA:23nCCCCCCCBrCOCCCCCCFNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrFNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.20305
Area:512.185
Solvation:-4.60158
Coulombic:-28.2029
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.236
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.59

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