Chemical ID: 5648457

COc1ccc(cc1)CCC(=O)Nc2ccccc2Cl
Chemical ID:
5648457
Name [?]:
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(cc1)CCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-20-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17/h2-7,9-10H,8,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,7,9,4,8,10,6,3,19,14,11,20,13,12,2/E:(6,7)(9,10)/rA:20nCOCCCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.27544
Area:499.593
Solvation:-3.21437
Coulombic:-29.4142
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):3.23

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