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Chemical ID: 4450066
Chemical ID:
4450066
Name [?]:
3-bromo-4-ethoxy-N-(2,4,6-trimethylphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Br)C(=O)Nc2c(cc(cc2C)C)C
InChi [?]:
InChI=1/C18H20BrNO2/c1-5-22-16-7-6-14(10-15(16)19)18(21)20-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,2,6,5,18,16,8,17,19,15,7,9,4,14,11,10,13,12,3/E:(3,4)(8,9)(12,13)/rA:22nCCOCCCCCCBrCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20BrNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9907 |
Area: | 524.376 |
Solvation: | -3.11869 |
Coulombic: | -29.3765 |
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: | 5.02 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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