Chemical ID: 4283015

Cc1ccc(c(c1)Br)OCC(=O)Nc2cccc3c2CCCC3
Chemical ID:
4283015
Name [?]:
2-(2-bromo-4-methyl-phenoxy)-N-tetralin-1-yl-acetamide
SMILES [?]:
Cc1ccc(c(c1)Br)OCC(=O)Nc2cccc3c2CCCC3
InChi [?]:
InChI=1/C19H20BrNO2/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/h4,6,8-11H,2-3,5,7,12H2,1H3,(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;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20BrNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.2269
Area:532.396
Solvation:-4.083
Coulombic:-29.1044
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.272
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.16
LogP (Chemaxon):5.36

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Descriptor Annotations

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