ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7309849

Chemical ID:

7309849

Name [?]:

2-[4-(4-fluorobenzoyl)phenoxy]-N-methyl-acetamide

SMILES [?]:

CNC(=O)COc1ccc(cc1)C(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C16H14FNO3/c1-18-15(19)10-21-14-8-4-12(5-9-14)16(20)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,16,20,9,11,17,19,8,12,5,15,10,18,7,3,13,21,2,4,14,6/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCNCOCOCCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄FNO₃
All Atoms:	35
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.1981
Area:	483.522
Solvation:	-5.88995
Coulombic:	-40.7936

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.286
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.82
LogP (Chemaxon):	2.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value