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Chemical ID: 4203781

Chemical ID:

4203781

Name [?]:

N-(3-fluoro-4-methyl-phenyl)-3-(4-methylphenoxy)-propanamide

SMILES [?]:

Cc1ccc(cc1)OCCC(=O)Nc2ccc(c(c2)F)C

InChi [?]:

InChI=1/C17H18FNO2/c1-12-3-7-15(8-4-12)21-10-9-17(20)19-14-6-5-13(2)16(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,21,3,7,16,15,4,6,10,9,19,2,17,14,5,18,11,20,13,12,8/E:(3,4)(7,8)/rA:21nCCCCCCCOCCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈FNO₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.88289
Area:	496.687
Solvation:	-3.53427
Coulombic:	-32.3215

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	287.329
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.66
LogP (Chemaxon):	4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value