Chemical ID: 4542314

CC(=O)Nc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
Chemical ID:
4542314
Name [?]:
N-[(4-acetamidophenyl)methyleneamino]-N'-[4-chloro-3-(trifluoromethyl)phenyl]-oxamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C18H14ClF3N4O3/c1-10(27)24-12-4-2-11(3-5-12)9-23-26-17(29)16(28)25-13-6-7-15(19)14(8-13)18(20,21)22/h2-9H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,20,21,24,11,2,8,5,19,23,22,16,14,25,29,26,27,28,12,4,18,13,3,17,15/E:(2,3)(4,5)(20,21,22)/rA:29nCCONCCCCCCCNNCOCONCCCCCCCFFFCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClF3N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3958
Area:614.152
Solvation:-4.95802
Coulombic:-80.5929
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:426.777
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.83
LogP (Chemaxon):3.71

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