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Chemical ID: 7275156
Chemical ID:
7275156
Name [?]:
N-(2-chloro-4-methyl-phenyl)-2-[(7-methoxy-2-naphthyl)oxy]acetamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)COc2ccc3ccc(cc3c2)OC
InChi [?]:
InChI=1/C20H18ClNO3/c1-13-3-8-19(18(21)9-13)22-20(23)12-25-17-7-5-14-4-6-16(24-2)10-15(14)11-17/h3-11H,12H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,18,16,19,15,4,7,21,23,12,2,17,22,20,14,6,5,10,8,9,11,24,13/rA:25nCCCCCCCClNCOCOCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClNO3 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12956 |
Area: | 572.641 |
Solvation: | -5.18646 |
Coulombic: | -36.809 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.815 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.91 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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