Chemical ID: 4450066

CCOc1ccc(cc1Br)C(=O)Nc2c(cc(cc2C)C)C
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

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Descriptor Annotations

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