Chemical ID: 5723380

Cc1ccc(cc1NC(=O)c2ccc(cc2)C#N)F
Chemical ID:
5723380
Name [?]:
4-cyano-N-(5-fluoro-2-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2)C#N)F
InChi [?]:
InChI=1/C15H11FN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,15,12,16,4,6,17,2,14,11,5,7,9,19,18,8,10/E:(3,4)(5,6)/rA:19nCCCCCCCNCOCCCCCCCNF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;t17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11FN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.12634
Area:445.442
Solvation:-3.0097
Coulombic:-29.2605
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):2.87

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