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Chemical ID: 6850571
Chemical ID:
6850571
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(2,4-dimethoxyphenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1Cl)OCCCC(=O)Nc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H22ClNO4/c1-13-11-15(6-8-16(13)20)25-10-4-5-19(22)21-17-9-7-14(23-2)12-18(17)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,11,12,5,18,6,17,10,3,20,2,19,4,7,16,21,13,8,15,14,24,22,9/rA:25nCCCCCCCClOCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO4 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4671 |
Area: | 600.97 |
Solvation: | -5.55716 |
Coulombic: | -42.3607 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.835 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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