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Chemical ID: 7514157
Chemical ID:
7514157
Name [?]:
2-(4-bromophenoxy)-N-(3-dimethylaminopropyl)acetamide
SMILES [?]:
CN(C)CCCNC(=O)COc1ccc(cc1)Br
InChi [?]:
InChI=1/C13H19BrN2O2/c1-16(2)9-3-8-15-13(17)10-18-12-6-4-11(14)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,5,14,16,13,17,6,4,10,15,12,8,18,7,2,9,11/E:(1,2)(4,5)(6,7)/rA:18nCNCCCCNCOCOCCCCCCBr/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19BrN2O2 |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.2363 |
Area: | 497.17 |
Solvation: | -4.19295 |
Coulombic: | -33.3155 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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