Chemical ID: 4476088

Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2ccc(cc2F)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue