Chemical ID: 6628105

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2Cl)C(F)(F)F
Chemical ID:
6628105
Name [?]:
N'-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H11ClF3N3O2/c17-12-7-3-4-8-13(12)22-14(24)15(25)23-21-9-10-5-1-2-6-11(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,16,7,5,4,20,15,12,10,22,21,23,24,25,8,14,9,13,11/E:(18,19,20)/rA:25nCCCCCCCNNCOCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s4;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClF3N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1705
Area:535.292
Solvation:-3.21182
Coulombic:-64.2681
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:369.725
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.57
LogP (Chemaxon):3.73

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