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Chemical ID: 6356500
Chemical ID:
6356500
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-cyclopentyl-propanamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C15H20BrNO/c1-11-6-8-14(13(16)10-11)17-15(18)9-7-12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,3,13,4,12,7,2,14,6,5,10,8,9,11/E:(2,3)(4,5)/rA:18nCCCCCCCBrNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2308 |
Area: | 469.977 |
Solvation: | -1.51858 |
Coulombic: | -21.9491 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.229 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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