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Chemical ID: 4719903
Chemical ID:
4719903
Name [?]:
2-(methoxyiminomethyl)-N,N'-bis[2-(trifluoromethyl)phenyl]-propanediamide
SMILES [?]:
CON=CC(C(=O)Nc1ccccc1C(F)(F)F)C(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C19H15F6N3O3/c1-31-26-10-11(16(29)27-14-8-4-2-6-12(14)18(20,21)22)17(30)28-15-9-5-3-7-13(15)19(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,12,25,11,24,13,26,10,23,4,5,14,27,9,22,6,19,15,28,16,17,18,29,30,31,3,8,21,7,20,2/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)(18,19)(20,21,22,23,24,25)(27,28)(29,30)/gE:(1,2)/rA:31nCONCCCONCCCCCCCFFFCONCCCCCCCFFF/rB:s1;s2;w3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s15;s15;s5;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F6N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57648 |
Area: | 586.575 |
Solvation: | -5.08789 |
Coulombic: | -81.1021 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 447.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.71 |
LogP (Chemaxon): | 4.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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