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Chemical ID: 5568301

Chemical ID:

5568301

Name [?]:

4-(4-acetylphenoxy)-N-(2-fluorophenyl)-butanamide

SMILES [?]:

CC(=O)c1ccc(cc1)OCCCC(=O)Nc2ccccc2F

InChi [?]:

InChI=1/C18H18FNO3/c1-13(21)14-8-10-15(11-9-14)23-12-4-7-18(22)20-17-6-3-2-5-16(17)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,20,19,12,21,18,13,5,9,6,8,11,2,4,7,22,17,14,23,16,3,15,10/E:(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;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.26585
Area:	538.207
Solvation:	-5.18931
Coulombic:	-39.307

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):	2.11

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