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Chemical ID: 4409589
Chemical ID:
4409589
Name [?]:
3-chloro-N-(2,4-dimethoxyphenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C17H18ClNO4/c1-4-23-15-8-5-11(9-13(15)18)17(20)19-14-7-6-12(21-2)10-16(14)22-3/h5-10H,4H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,21,2,6,16,15,5,8,18,7,17,9,14,4,19,11,10,13,12,22,20,3/rA:23nCCOCCCCCCClCONCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54626 |
Area: | 544.582 |
Solvation: | -5.06829 |
Coulombic: | -43.982 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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