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Chemical ID: 7252444
Chemical ID:
7252444
Name [?]:
2-(3-cyanophenoxy)-N-(2,4-difluorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ccc(cc2F)F)C#N
InChi [?]:
InChI=1/C15H10F2N2O2/c16-11-4-5-14(13(17)7-11)19-15(20)9-21-12-3-1-2-10(6-12)8-18/h1-7H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,4,16,20,8,3,15,5,17,12,9,19,18,21,11,10,7/rA:21nCCCCCCOCCONCCCCCCFFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10F2N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.397 |
Area: | 478.305 |
Solvation: | -5.56064 |
Coulombic: | -38.1873 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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