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Chemical ID: 3639261
Chemical ID:
3639261
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CN2CCCCC2
InChi [?]:
InChI=1/C14H19ClN2O/c1-11-5-6-12(9-13(11)15)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,14,18,6,12,2,5,7,10,8,9,13,11/E:(3,4)(7,8)/rA:18nCCCCCCCClNCOCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9124 |
Area: | 456.144 |
Solvation: | -2.49121 |
Coulombic: | -25.9622 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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