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Chemical ID: 6574944

c1ccc(c(c1)C(=O)Nc2ccc(cc2NC(=O)c3ccccc3C(F)(F)F)Cl)C(F)(F)F

Chemical ID:

6574944

Name [?]:

N-[4-chloro-2-[2-(trifluoromethyl)benzoyl]amino-phenyl]-2-(trifluoromethyl)benzamide

SMILES [?]:

c1ccc(c(c1)C(=O)Nc2ccc(cc2NC(=O)c3ccccc3C(F)(F)F)Cl)C(F)(F)F

InChi [?]:

InChI=1/C22H13ClF6N2O2/c23-12-9-10-17(30-19(32)13-5-1-3-7-15(13)21(24,25)26)18(11-12)31-20(33)14-6-2-4-8-16(14)22(27,28)29/h1-11H,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,21,2,22,6,20,3,23,12,11,14,13,5,19,4,24,10,15,7,17,30,25,29,31,32,33,26,27,28,9,16,8,18/E:(24,25,26)(27,28,29)/rA:33nCCCCCCCONCCCCCCNCOCCCCCCCFFFClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;s13;s4;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₃ClF₆N₂O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0883
Area:	619.365
Solvation:	-5.39582
Coulombic:	-79.7417

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.794
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	6.44
LogP (Chemaxon):	6.44

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