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Chemical ID: 5629803
Chemical ID:
5629803
Name [?]:
N-(3-benzamido-4-chloro-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(c(c2)NC(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O3/c1-27-17-10-7-15(8-11-17)20(25)23-16-9-12-18(22)19(13-16)24-21(26)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,5,7,13,4,8,14,17,21,6,12,3,15,16,9,19,27,11,18,10,20,2/E:(3,4)(5,6)(7,8)(10,11)/rA:27nCOCCCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2693 |
Area: | 600.701 |
Solvation: | -3.74828 |
Coulombic: | -52.486 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.824 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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