Chemical ID: 4414216

COc1ccc(cc1Cl)NC(=O)CCC2CCCCC2
Chemical ID:
4414216
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-3-cyclohexyl-propanamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C16H22ClNO2/c1-20-15-9-8-13(11-14(15)17)18-16(19)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,14,5,4,13,7,15,6,8,3,11,9,10,12,2/E:(3,4)(5,6)/rA:20nCOCCCCCCClNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.55766
Area:505.328
Solvation:-3.07553
Coulombic:-28.607
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.804
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.08
LogP (Chemaxon):4.07

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