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Chemical ID: 7039118
Chemical ID:
7039118
Name [?]:
N-[benzamido-(2-methoxyphenyl)-methyl]benzamide
SMILES [?]:
COc1ccccc1C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C22H20N2O3/c1-27-19-15-9-8-14-18(19)20(23-21(25)16-10-4-2-5-11-16)24-22(26)17-12-6-3-7-13-17/h2-15,20H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,16,25,15,17,24,26,6,5,14,18,23,27,7,4,13,22,8,3,9,11,20,10,19,12,21,2/E:(2,3)(4,5,6,7)(10,11,12,13)(16,17)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCOCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95368 |
Area: | 576.023 |
Solvation: | -4.44689 |
Coulombic: | -53.8206 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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