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Chemical ID: 4146199
Chemical ID:
4146199
Name [?]:
N-(4-chlorophenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12(2)13-3-9-16(10-4-13)21-11-17(20)19-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,17,19,16,20,6,8,11,2,4,18,15,7,12,21,14,13,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19235 |
Area: | 523.899 |
Solvation: | -3.90512 |
Coulombic: | -29.9033 |
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: | 4.7 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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