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Chemical ID: 7297034
Chemical ID:
7297034
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)NCc2ccccc2OC)Cl
InChi [?]:
InChI=1/C18H20ClNO3/c1-12-10-15(19)8-9-16(12)23-13(2)18(21)20-11-14-6-4-5-7-17(14)22-3/h4-10,13H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,22,17,18,16,19,5,6,3,14,2,9,15,4,7,20,11,23,13,12,21,8/rA:23cCCCCCCCOCCCONCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.10058 |
Area: | 558.063 |
Solvation: | -4.851 |
Coulombic: | -37.7991 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.809 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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