Chemical ID: 4088900

Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F
Chemical ID:
4088900
Name [?]:
N-(3,4-dimethylphenyl)-N'-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H16F3N3O2/c1-11-7-8-14(9-12(11)2)23-16(25)17(26)24-22-10-13-5-3-4-6-15(13)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,19,20,18,21,3,4,6,16,2,7,17,5,22,10,12,23,24,25,26,15,9,14,11,13/E:(19,20,21)/rA:26nCCCCCCCCNCOCONNCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3753
Area:547.545
Solvation:-3.3133
Coulombic:-63.2996
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:363.334
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):4.8

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