Chemical ID: 6828324

CC(C)(C)c1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)F
Chemical ID:
6828324
Name [?]:
3-fluoro-N-[(4-tert-butylphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C20H22FN3O2/c1-20(2,3)16-9-7-14(8-10-16)12-23-24-18(25)13-22-19(26)15-5-4-6-17(21)11-15/h4-12H,13H2,1-3H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,21,23,7,9,6,10,25,11,16,8,20,5,24,14,18,2,26,17,12,13,15,19/E:(1,2,3)(7,8)(9,10)/rA:26nCCCCCCCCCCCNNCOCNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22FN3O2
All Atoms:48
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1159
Area:590.951
Solvation:-4.65784
Coulombic:-45.6078
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:355.406
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.14
LogP (Chemaxon):3.93

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