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Chemical ID: 7482471
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
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Experimental Annotations
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Descriptor Annotations
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