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Chemical ID: 5686906
Chemical ID:
5686906
Name [?]:
2-bromo-N-(cyclohexylmethyl)-5-methoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)C(=O)NCC2CCCCC2)Br
InChi [?]:
InChI=1/C15H20BrNO2/c1-19-12-7-8-14(16)13(9-12)15(18)17-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,4,5,8,12,13,3,7,6,9,19,11,10,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCONCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20BrNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99937 |
Area: | 474.049 |
Solvation: | -2.85186 |
Coulombic: | -29.9037 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.229 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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