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Chemical ID: 6357156
Chemical ID:
6357156
Name [?]:
N-(2,4-dibromophenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1Br)Br
InChi [?]:
InChI=1/C11H13Br2NO/c1-11(2,3)10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,8,5,2,15,14,7,6/E:(1,2,3)/rA:15nCCCCCONCCCCCCBrBr/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Br2NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9485 |
Area: | 410.309 |
Solvation: | -1.30923 |
Coulombic: | -21.914 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.035 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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