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Chemical ID: 3850643
Chemical ID:
3850643
Name [?]:
N-(4-amino-2,5-diethoxy-phenyl)-4-chloro-benzamide
SMILES [?]:
CCOc1cc(c(cc1NC(=O)c2ccc(cc2)Cl)OCC)N
InChi [?]:
InChI=1/C17H19ClN2O3/c1-3-22-15-10-14(16(23-4-2)9-13(15)19)20-17(21)11-5-7-12(18)8-6-11/h5-10H,3-4,19H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:22,1,21,2,14,18,15,17,5,8,13,16,6,9,7,4,11,19,23,10,12,20,3/E:(5,6)(7,8)/rA:23nCCOCCCCCCNCOCCCCCCClOCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s7;s20;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2552 |
Area: | 552.678 |
Solvation: | -3.56172 |
Coulombic: | -54.2954 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.797 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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