Chemical ID: 7474147

Cc1cccc(c1NC(=O)COc2ccc(c(c2)C)Br)C
Chemical ID:
7474147
Name [?]:
2-(4-bromo-3-methyl-phenoxy)-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(c(c2)C)Br)C
InChi [?]:
InChI=1/C17H18BrNO2/c1-11-5-4-6-12(2)17(11)19-16(20)10-21-14-7-8-15(18)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,19,4,3,5,14,15,18,11,2,6,17,13,16,9,7,20,8,10,12/E:(1,2)(5,6)(11,12)/rA:21nCCCCCCCNCOCOCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO2
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.54218
Area:505.191
Solvation:-4.08759
Coulombic:-28.472
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.234
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):3.77

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Descriptor Annotations

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