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Chemical ID: 7259532
Chemical ID:
7259532
Name [?]:
N-(2-chloro-4-methyl-phenyl)-3-(2-methoxyphenyl)-propanamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)CCc2ccccc2OC
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-7-9-15(14(18)11-12)19-17(20)10-8-13-5-3-4-6-16(13)21-2/h3-7,9,11H,8,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,16,17,15,18,3,13,4,12,7,2,14,6,5,19,10,8,9,11,20/rA:21nCCCCCCCClNCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0023 |
Area: | 517.935 |
Solvation: | -2.94609 |
Coulombic: | -29.5867 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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