Chemical ID: 7300059

CC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
Chemical ID:
7300059
Name [?]:
2-(4-acetylphenoxy)-N-(3-chloro-4-fluoro-phenyl)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C16H13ClFNO3/c1-10(20)11-2-5-13(6-3-11)22-9-16(21)19-12-4-7-15(18)14(17)8-12/h2-8H,9H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,9,16,6,8,17,20,11,2,4,15,7,19,18,12,21,22,14,3,13,10/E:(2,3)(5,6)/rA:22nCCOCCCCCCOCCONCCCCCCClF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClFNO3
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.08678
Area:522.187
Solvation:-5.96791
Coulombic:-38.6684
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.73
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.3
LogP (Chemaxon):2.84

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue