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Chemical ID: 7298209
Chemical ID:
7298209
Name [?]:
N-(2-acetylphenyl)-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccccc2C(=O)C
InChi [?]:
InChI=1/C17H17NO2/c1-3-13-8-10-14(11-9-13)17(20)18-16-7-5-4-6-15(16)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,15,14,16,13,4,8,5,7,18,3,6,17,12,9,11,19,10/E:(8,9)(10,11)/rA:20nCCCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43006 |
Area: | 468.956 |
Solvation: | -2.29383 |
Coulombic: | -31.4093 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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