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Chemical ID: 7101947
Chemical ID:
7101947
Name [?]:
2-[2-bromo-6-ethoxy-4-(pentylaminomethyl)phenoxy]acetamide
SMILES [?]:
CCCCCNCc1cc(c(c(c1)Br)OCC(=O)N)OCC
InChi [?]:
InChI=1/C16H25BrN2O3/c1-3-5-6-7-19-10-12-8-13(17)16(22-11-15(18)20)14(9-12)21-4-2/h8-9,19H,3-7,10-11H2,1-2H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,4,5,13,9,7,16,8,12,10,17,11,14,19,6,18,20,15/rA:22nCCCCCNCCCCCCCBrOCCONOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s15;s16;d17;s17;s10;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25BrN2O3 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03418 |
Area: | 581.312 |
Solvation: | -5.49861 |
Coulombic: | -49.49 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.285 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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