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Chemical ID: 3898840
Chemical ID:
3898840
Name [?]:
N-(4-acetamido-2,5-dimethoxy-phenyl)-4-chloro-benzamide
SMILES [?]:
CC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Cl)OC
InChi [?]:
InChI=1/C17H17ClN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,12,24,17,21,18,20,6,9,2,16,19,5,8,10,7,14,22,4,13,3,15,11,23/E:(4,5)(6,7)/rA:24nCCONCCCCCCOCNCOCCCCCCClOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5004 |
Area: | 549.325 |
Solvation: | -4.23272 |
Coulombic: | -56.6886 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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