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Chemical ID: 4160411

Chemical ID:

4160411

Name [?]:

4-(2,4-dimethylphenoxy)-N-(4-fluorophenyl)-butanamide

SMILES [?]:

Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C18H20FNO2/c1-13-5-10-17(14(2)12-13)22-11-3-4-18(21)20-16-8-6-15(19)7-9-16/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,11,12,3,18,20,17,21,4,10,7,2,6,19,16,5,13,22,15,14,9/E:(6,7)(8,9)/rA:22nCCCCCCCCOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀FNO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73674
Area:	525.712
Solvation:	-4.40606
Coulombic:	-31.294

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	301.355
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.01
LogP (Chemaxon):	4.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value