Chemical ID: 6157939

c1cc(c(cc1[N+](=O)[O-])NC(=O)COc2ccc(cc2Cl)Cl)F
Chemical ID:
6157939
Name [?]:
2-(2,4-dichlorophenoxy)-N-(2-fluoro-5-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])NC(=O)COc2ccc(cc2Cl)Cl)F
InChi [?]:
InChI=1/C14H9Cl2FN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-12-6-9(19(21)22)2-3-11(12)17/h1-6H,7H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:17,1,2,16,19,5,13,18,6,20,3,4,15,11,22,21,23,10,7,12,8,9,14/E:(21,22)/CRV:19.5/rA:23nCCCCCCN+OO-NCOCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl2FN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.41638
Area:541.901
Solvation:-10.1311
Coulombic:-42.3827
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.136
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):3.35

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