Chemical ID: 6396592

c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
6396592
Name [?]:
N-(4-chlorophenyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H9ClFNO/c14-10-4-6-12(7-5-10)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,4,3,14,5,11,8,17,7,10,9/E:(4,5)(6,7)/rA:17nCCCCCCFCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClFNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.92419
Area:420.238
Solvation:-2.58176
Coulombic:-26.5178
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.668
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):3.76

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