Chemical ID: 6711683

Cc1c(cccc1Cl)NC(=O)CC[NH+]2CCCC2
Chemical ID:
6711683
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-(2,3,4,5-tetrahydropyrrol-1-yl)propanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC[NH+]2CCCC2
InChi [?]:
InChI=1/C14H19ClN2O/c1-11-12(15)5-4-6-13(11)16-14(18)7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,17,5,6,4,12,15,18,13,2,7,3,10,8,9,14,11/E:(2,3)(8,9)/rA:18nCCCCCCCClNCOCCN+CCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClN2O+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-21.4445
Area:464.096
Solvation:-33.0469
Coulombic:10.9997
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.774
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):2.08

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