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Chemical ID: 6176767
Chemical ID:
6176767
Name [?]:
2-bromo-3-methyl-N-(1-naphthyl)butanamide
SMILES [?]:
CC(C)C(C(=O)Nc1cccc2c1cccc2)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-10(2)14(16)15(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,10,17,11,14,9,2,12,13,8,4,5,18,7,6/E:(1,2)/rA:18cCCCCCONCCCCCCCCCCBr/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.97098 |
Area: | 437.006 |
Solvation: | -1.95418 |
Coulombic: | -23.1232 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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