Chemical ID: 7039118

COc1ccccc1C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
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

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