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Chemical ID: 5874706

CC(C)C(=O)NCCCN(c1cccc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)C(F)(F)F

Chemical ID:

5874706

Name [?]:

2-methyl-N-[3-[[3-(trifluoromethyl)phenyl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]propyl]propanamide

SMILES [?]:

CC(C)C(=O)NCCCN(c1cccc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)C(F)(F)F

InChi [?]:

InChI=1/C22H23F6N3O2/c1-14(2)19(32)29-10-5-11-31(18-9-4-7-16(13-18)22(26,27)28)20(33)30-17-8-3-6-15(12-17)21(23,24)25/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,29,32)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,3,26,13,8,27,14,25,12,7,9,29,16,2,28,15,24,11,4,21,30,17,31,32,33,18,19,20,6,23,10,5,22/E:(1,2)(23,24,25)(26,27,28)/rA:33nCCCCONCCCNCCCCCCCFFFCONCCCCCCCFFF/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s10;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃F₆N₃O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6106
Area:	682.246
Solvation:	-4.44551
Coulombic:	-88.728

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	475.427
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.88
LogP (Chemaxon):	5.32

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