Chemical ID: 4143677

CN(C)CCNC(=O)COc1cccc(c1)Cl
Chemical ID:
4143677
Name [?]:
2-(3-chlorophenoxy)-N-(2-dimethylaminoethyl)acetamide
SMILES [?]:
CN(C)CCNC(=O)COc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H17ClN2O2/c1-15(2)7-6-14-12(16)9-17-11-5-3-4-10(13)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,5,4,16,9,15,11,7,17,6,2,8,10/E:(1,2)/rA:17nCNCCCNCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClN2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.59846
Area:474.864
Solvation:-4.27315
Coulombic:-33.5861
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.728
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.58
LogP (Chemaxon):1.21

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Descriptor Annotations

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