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Chemical ID: 4410455
Chemical ID:
4410455
Name [?]:
N-(3-fluorophenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11FN2O4/c15-10-2-1-3-11(8-10)16-14(18)9-21-13-6-4-12(5-7-13)17(19)20/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,14,18,4,11,5,3,16,13,9,7,8,19,10,20,21,12/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21nCCCCCCFNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11FN2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.29748 |
Area: | 481.035 |
Solvation: | -10.7284 |
Coulombic: | -41.7383 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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