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Chemical ID: 4198867
Chemical ID:
4198867
Name [?]:
3-chloro-N-(2,5-dimethylphenyl)-4-methoxy-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(c(c2)Cl)OC)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-10-4-5-11(2)14(8-10)18-16(19)12-6-7-15(20-3)13(17)9-12/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,3,4,12,13,7,16,2,5,11,15,6,14,9,17,8,10,18/rA:20nCCCCCCCNCOCCCCCCClOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77274 |
Area: | 484.189 |
Solvation: | -3.33198 |
Coulombic: | -29.6602 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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