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Chemical ID: 6990173

c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3cc(ccc3F)[N+](=O)[O-]

Chemical ID:

6990173

Name [?]:

N-(2-fluoro-5-nitro-phenyl)-2-(4-phenylphenoxy)-acetamide

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3cc(ccc3F)[N+](=O)[O-]

InChi [?]:

InChI=1/C20H15FN2O4/c21-18-11-8-16(23(25)26)12-19(18)22-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,8,12,21,9,11,22,19,14,4,7,20,10,23,18,15,24,17,25,16,26,27,13/E:(2,3)(4,5)(6,7)(9,10)(25,26)/CRV:23.5/rA:27nCCCCCCCCCCCCOCCONCCCCCCFN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅FN₂O₄
All Atoms:	42
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	4.40255
Area:	581.037
Solvation:	-10.1234
Coulombic:	-44.0521

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.343
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.54
LogP (Chemaxon):	4.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value