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Chemical ID: 4233960
Chemical ID:
4233960
Name [?]:
N-(4-fluorophenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C15H13FN2O4/c1-10-8-13(6-7-14(10)18(20)21)22-9-15(19)17-12-4-2-11(16)3-5-12/h2-8H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,20,17,21,5,6,3,12,2,19,16,4,7,13,22,15,8,14,9,10,11/E:(2,3)(4,5)(20,21)/CRV:18.5/rA:22nCCCCCCCN+OO-OCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13FN2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.11242 |
Area: | 496.442 |
Solvation: | -10.2986 |
Coulombic: | -42.3523 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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