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Chemical ID: 5976466
Chemical ID:
5976466
Name [?]:
5-(3,4-dichlorobenzoyl)amino-2-dimethylamino-N-(3-methoxypropyl)benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCCCOC)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C20H23Cl2N3O3/c1-25(2)18-8-6-14(12-15(18)20(27)23-9-4-10-28-3)24-19(26)13-5-7-16(21)17(22)11-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,17,14,22,6,23,5,13,15,26,8,21,7,9,24,25,4,19,10,28,27,12,18,2,20,11,16/E:(1,2)/rA:28nCNCCCCCCCCONCCCOCNCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s16;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23Cl2N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1845 |
Area: | 670.283 |
Solvation: | -5.57253 |
Coulombic: | -56.3292 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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