Chemical ID: 4409436

Cc1ccc(cc1C)C(=O)Nc2c(cc(cc2C)Br)C
Chemical ID:
4409436
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2c(cc(cc2C)Br)C
InChi [?]:
InChI=1/C17H18BrNO/c1-10-5-6-14(7-11(10)2)17(20)19-16-12(3)8-15(18)9-13(16)4/h5-9H,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,18,20,3,4,6,16,14,2,7,17,13,5,15,12,9,19,11,10/E:(3,4)(8,9)(12,13)/rA:20nCCCCCCCCCONCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.3722
Area:481.702
Solvation:-1.67035
Coulombic:-22.924
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.235
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):4.46

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