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Chemical ID: 6387639
Chemical ID:
6387639
Name [?]:
N-benzyl-2-(4-chloro-2-methyl-phenoxy)-propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)NCc2ccccc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-10-15(18)8-9-16(12)21-13(2)17(20)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,20,5,6,3,14,2,9,15,4,7,11,21,13,12,8/E:(4,5)(6,7)/rA:21cCCCCCCCOCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.59639 |
Area: | 524.737 |
Solvation: | -3.52203 |
Coulombic: | -31.4536 |
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: | 4.19 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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