ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7522429

Chemical ID:

7522429

Name [?]:

N-(4-ethylphenyl)-2-(2-fluorophenoxy)-acetamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)COc2ccccc2F

InChi [?]:

InChI=1/C16H16FNO2/c1-2-12-7-9-13(10-8-12)18-16(19)11-20-15-6-4-3-5-14(15)17/h3-10H,2,11H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,17,16,18,15,4,8,5,7,12,3,6,19,14,10,20,9,11,13/E:(7,8)(9,10)/rA:20nCCCCCCCCNCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆FNO₂
All Atoms:	36
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	6.48482
Area:	475.338
Solvation:	-5.39864
Coulombic:	-32.6905

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.74
LogP (Chemaxon):	None

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

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Chemical Mix	Source	External ID	Descriptor	Value