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Chemical ID: 5607201
Chemical ID:
5607201
Name [?]:
2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide
SMILES [?]:
CCN(CC)CCNC(=O)COc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,17,14,18,7,6,11,16,13,9,19,8,3,10,12/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCNCCCCNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80636 |
Area: | 522.212 |
Solvation: | -4.24893 |
Coulombic: | -33.8749 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 284.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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