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Chemical ID: 4408239
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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