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Chemical ID: 7257407
Chemical ID:
7257407
Name [?]:
N-(2-ethoxyphenyl)-2-(3-fluorophenyl)amino-2-phenyl-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)C(c2ccccc2)Nc3cccc(c3)F
InChi [?]:
InChI=1/C22H21FN2O2/c1-2-27-20-14-7-6-13-19(20)25-22(26)21(16-9-4-3-5-10-16)24-18-12-8-11-17(23)15-18/h3-15,21,24H,2H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,7,6,23,15,19,24,22,8,5,26,14,25,21,9,4,13,11,27,20,10,12,3/E:(4,5)(9,10)/rA:27cCCOCCCCCCNCOCCCCCCCNCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21FN2O2 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3092 |
Area: | 581.419 |
Solvation: | -4.22628 |
Coulombic: | -47.6495 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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