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Chemical ID: 4476088
Chemical ID:
4476088
Name [?]:
N-(2,4-difluorophenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H12F2N2O4/c1-9-6-11(3-5-14(9)19(21)22)23-8-15(20)18-13-4-2-10(16)7-12(13)17/h2-7H,8H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,5,17,6,3,20,12,2,19,4,21,16,7,13,23,22,15,8,14,9,10,11/E:(21,22)/CRV:19.5/rA:23nCCCCCCCN+OO-OCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F2N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.99106 |
Area: | 500.137 |
Solvation: | -10.5124 |
Coulombic: | -45.9547 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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