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Chemical ID: 7269585
Chemical ID:
7269585
Name [?]:
2-(3-cyanophenoxy)-N-(4-fluorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ccc(cc2)F)C#N
InChi [?]:
InChI=1/C15H11FN2O2/c16-12-4-6-13(7-5-12)18-15(19)10-20-14-3-1-2-11(8-14)9-17/h1-8H,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,4,19,8,3,15,12,5,9,18,20,11,10,7/E:(4,5)(6,7)/rA:20nCCCCCCOCCONCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11FN2O2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51619 |
Area: | 472.704 |
Solvation: | -5.30142 |
Coulombic: | -34.6126 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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