Chemical ID: 5768667

c1cc(ccc1NC(=O)CCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])F)F
Chemical ID:
5768667
Name [?]:
N'-(4-fluoro-3-nitro-phenyl)-N-(4-fluorophenyl)-butanediamide
SMILES [?]:
c1cc(ccc1NC(=O)CCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])F)F
InChi [?]:
InChI=1/C16H13F2N3O4/c17-10-1-3-11(4-2-10)19-15(22)7-8-16(23)20-12-5-6-13(18)14(9-12)21(24)25/h1-6,9H,7-8H2,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,16,17,10,11,20,3,6,15,18,19,8,12,25,24,7,14,21,9,13,22,23/E:(1,2)(3,4)(24,25)/CRV:21.5/rA:25nCCCCCCNCOCCCONCCCCCCN+OO-FF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13F2N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.21455
Area:539.718
Solvation:-11.2784
Coulombic:-55.283
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.289
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.09
LogP (Chemaxon):2.94

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