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Chemical ID: 4719903

CON=CC(C(=O)Nc1ccccc1C(F)(F)F)C(=O)Nc2ccccc2C(F)(F)F

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.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value