Chemical ID: 7482471

CCCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
Chemical ID:
7482471
Name [?]:
4-butoxy-N-(3-cyanophenyl)-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C18H18N2O2/c1-2-3-11-22-17-9-7-15(8-10-17)18(21)20-16-6-4-5-14(12-16)13-19/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,16,8,10,7,11,4,20,21,19,9,15,6,12,22,14,13,5/E:(7,8)(9,10)/rA:22nCCCCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1363
Area:537.217
Solvation:-3.29415
Coulombic:-33.7034
Bond Count [?]
All:23
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):3.87

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