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Chemical ID: 3638722
Chemical ID:
3638722
Name [?]:
N-(4-amino-2-chloro-phenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
c1cc(c(cc1N)Cl)NC(=O)CN2CCCCC2
InChi [?]:
InChI=1/C13H18ClN3O/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,15H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,1,2,14,18,5,12,6,4,3,10,8,7,9,13,11/E:(2,3)(6,7)/rA:18nCCCCCCNClNCOCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83886 |
Area: | 453.188 |
Solvation: | -2.49083 |
Coulombic: | -42.0928 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.754 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.05 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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