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Chemical ID: 6471875
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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