Chemical ID: 6471875

CC(C)C(=O)Nc1c(cc(cc1Br)F)F
Chemical ID:
6471875
Name [?]:
N-(2-bromo-4,6-difluoro-phenyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1c(cc(cc1Br)F)F
InChi [?]:
InChI=1/C10H10BrF2NO/c1-5(2)10(15)14-9-7(11)3-6(12)4-8(9)13/h3-5H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,11,9,2,10,12,8,7,4,13,14,15,6,5/E:(1,2)/rA:15nCCCCONCCCCCCBrFF/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrF2NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.02916
Area:375.627
Solvation:-3.36151
Coulombic:-26.5188
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.093
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.94
LogP (Chemaxon):2.33

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Descriptor Annotations

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