Chemical ID: 4408239

Cc1cc(cc(c1NC(=O)c2ccc(cc2)OC(C)C)C)Br
Chemical ID:
4408239
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-4-isopropoxy-benzamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)c2ccc(cc2)OC(C)C)C)Br
InChi [?]:
InChI=1/C18H20BrNO2/c1-11(2)22-16-7-5-14(6-8-16)18(21)20-17-12(3)9-15(19)10-13(17)4/h5-11H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:19,20,1,21,12,16,13,15,3,5,18,2,6,11,4,14,7,9,22,8,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)/rA:22nCCCCCCCNCOCCCCCCOCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20BrNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3496
Area:527.356
Solvation:-2.83434
Coulombic:-30.0063
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):4.03

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Descriptor Annotations

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