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Chemical ID: 4414120
Chemical ID:
4414120
Name [?]:
2-(4-bromo-3,5-dimethyl-phenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1Br)C)OCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C19H22BrNO2/c1-12(2)16-7-5-6-8-17(16)21-18(22)11-23-15-9-13(3)19(20)14(4)10-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,9,18,17,19,16,3,5,11,21,2,6,4,20,15,12,7,8,14,13,10/E:(1,2)(3,4)(9,10)(13,14)/rA:23nCCCCCCCBrCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22BrNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9438 |
Area: | 551.742 |
Solvation: | -3.84975 |
Coulombic: | -29.516 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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