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Chemical ID: 7010319
Chemical ID:
7010319
Name [?]:
3-(4-methoxyphenyl)-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1)c2cccc(c2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H17NO2/c1-23-19-12-10-15(11-13-19)16-6-5-7-17(14-16)20(22)21-18-8-3-2-4-9-18/h2-14H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,11,10,12,19,23,5,7,4,8,14,6,9,13,18,3,15,17,16,2/E:(3,4)(8,9)(10,11)(12,13)/rA:23nCOCCCCCCCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO2 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46933 |
Area: | 518.164 |
Solvation: | -3.48476 |
Coulombic: | -31.5116 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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