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Chemical ID: 7280568
Chemical ID:
7280568
Name [?]:
2-cyclohexyl-N-(4-fluoro-3-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)CC2CCCCC2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,10,5,11,6,3,4,8,20,7,17,9,18,19/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCCN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17FN2O3 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.39638 |
Area: | 457.013 |
Solvation: | -9.02893 |
Coulombic: | -33.8191 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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