Chemical ID: 7268177

CC(=O)c1ccc(cc1)NCC(=O)Nc2ccc(cc2F)Br
Chemical ID:
7268177
Name [?]:
2-(4-acetylphenyl)amino-N-(4-bromo-2-fluoro-phenyl)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NCC(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C16H14BrFN2O2/c1-10(21)11-2-5-13(6-3-11)19-9-16(22)20-15-7-4-12(17)8-14(15)18/h2-8,19H,9H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,9,17,6,8,16,19,11,2,4,18,7,20,15,12,22,21,10,14,3,13/E:(2,3)(5,6)/rA:22nCCOCCCCCCNCCONCCCCCCFBr/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrFN2O2
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.07579
Area:522.664
Solvation:-3.99082
Coulombic:-44.0947
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.197
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):2.29

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