ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7279604

Chemical ID:

7279604

Name [?]:

2-(2-acetyl-4-chloro-phenoxy)-N-(5-fluoro-2-methyl-phenyl)-acetamide

SMILES [?]:

Cc1ccc(cc1NC(=O)COc2ccc(cc2C(=O)C)Cl)F

InChi [?]:

InChI=1/C17H15ClFNO3/c1-10-3-5-13(19)8-15(10)20-17(22)9-23-16-6-4-12(18)7-14(16)11(2)21/h3-8H,9H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,21,3,15,4,14,17,6,11,2,19,16,5,18,7,13,9,22,23,8,20,10,12/rA:23nCCCCCCCNCOCOCCCCCCCOCClF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClFNO₃
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	6.01366
Area:	528.88
Solvation:	-7.20834
Coulombic:	-36.558

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	335.757
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.52
LogP (Chemaxon):	2.66

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