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Chemical ID: 6355300
Chemical ID:
6355300
Name [?]:
3-cyclopentyl-N-(2,4-dibromophenyl)-propanamide
SMILES [?]:
c1cc(c(cc1Br)Br)NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C14H17Br2NO/c15-11-6-7-13(12(16)9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,13,1,2,12,5,14,6,4,3,10,7,8,9,11/E:(1,2)(3,4)/rA:18nCCCCCCBrBrNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17Br2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5009 |
Area: | 477.356 |
Solvation: | -1.43296 |
Coulombic: | -21.788 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.099 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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