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Chemical ID: 5550567

Chemical ID:

5550567

Name [?]:

4-(4-acetylphenoxy)-N-(4-fluorophenyl)-butanamide

SMILES [?]:

CC(=O)c1ccc(cc1)OCCCC(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C18H18FNO3/c1-13(21)14-4-10-17(11-5-14)23-12-2-3-18(22)20-16-8-6-15(19)7-9-16/h4-11H,2-3,12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,12,13,5,9,19,21,18,22,6,8,11,2,4,20,17,7,14,23,16,3,15,10/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCOCCCCONCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈FNO₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.94273
Area:	541.812
Solvation:	-5.60257
Coulombic:	-37.9219

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	315.339
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.19
LogP (Chemaxon):	2.76

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