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Chemical ID: 5490895
Chemical ID:
5490895
Name [?]:
N-(3-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)F)C#N
InChi [?]:
InChI=1/C22H15FN2O3/c23-18-8-4-16(5-9-18)22(27)17-6-10-20(11-7-17)28-14-21(26)25-19-3-1-2-15(12-19)13-24/h1-12H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,25,14,16,22,24,13,17,4,27,10,3,20,15,23,5,12,8,18,26,28,7,9,19,11/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCNCOCOCCCCCCCOCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15FN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64934 |
Area: | 608.374 |
Solvation: | -6.56 |
Coulombic: | -44.1342 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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