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Chemical ID: 7287806

Chemical ID:

7287806

Name [?]:

N-(3-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]-acetamide

SMILES [?]:

c1cc(cc(c1)F)NC(=O)COc2ccc(cc2)CO

InChi [?]:

InChI=1/C15H14FNO3/c16-12-2-1-3-13(8-12)17-15(19)10-20-14-6-4-11(9-18)5-7-14/h1-8,18H,9-10H2,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,6,2,15,17,14,18,4,19,11,16,5,3,13,9,7,8,20,10,12/E:(4,5)(6,7)/rA:20nCCCCCCFNCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄FNO₃
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	5.69929
Area:	472.296
Solvation:	-6.10812
Coulombic:	-48.1874

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	275.275
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.03
LogP (Chemaxon):	2.48

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