Chemical ID: 6711681

Cc1c(cccc1Cl)NC(=O)CC[NH+]2CCCCC2
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

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Descriptor Annotations

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