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Chemical ID: 6711681
Chemical ID:
6711681
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC[NH+]2CCCCC2
InChi [?]:
InChI=1/C15H21ClN2O/c1-12-13(16)6-5-7-14(12)17-15(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,16,18,5,6,4,12,15,19,13,2,7,3,10,8,9,14,11/E:(3,4)(9,10)/rA:19nCCCCCCCClNCOCCN+CCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN2O+ |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.5209 |
Area: | 480.795 |
Solvation: | -32.5408 |
Coulombic: | 10.3722 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.801 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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