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Chemical ID: 7283154
Chemical ID:
7283154
Name [?]:
N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)amino-2-phenyl-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C(c2ccccc2)Nc3cccc(c3)F)C
InChi [?]:
InChI=1/C22H21FN2O/c1-15-11-12-16(2)20(13-15)25-22(26)21(17-7-4-3-5-8-17)24-19-10-6-9-18(23)14-19/h3-14,21,24H,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,15,14,16,21,13,17,22,20,3,4,7,24,2,5,12,23,19,6,11,9,25,18,8,10/E:(4,5)(7,8)/rA:26cCCCCCCCNCOCCCCCCCNCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s21;d22;d19s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21FN2O |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6649 |
Area: | 559.531 |
Solvation: | -3.32335 |
Coulombic: | -39.7354 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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