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Chemical ID: 4109254
Chemical ID:
4109254
Name [?]:
2-(2-bromo-4-methyl-phenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)Br)OCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C19H16BrNO2/c1-13-9-10-18(16(20)11-13)23-12-19(22)21-17-8-4-6-14-5-2-3-7-15(14)17/h2-11H,12H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,16,23,17,20,15,3,4,7,10,2,18,19,6,14,5,11,8,13,12,9/rA:23nCCCCCCCBrOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92714 |
Area: | 527.628 |
Solvation: | -4.26357 |
Coulombic: | -30.03 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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