Chemical ID: 6400377

COc1ccc(cc1)CCC(=O)Nc2cccc(c2Cl)Cl
Chemical ID:
6400377
Name [?]:
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(cc1)CCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-21-12-8-5-11(6-9-12)7-10-15(20)19-14-4-2-3-13(17)16(14)18/h2-6,8-9H,7,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,5,7,9,4,8,10,6,3,18,14,11,19,21,20,13,12,2/E:(5,6)(8,9)/rA:21nCOCCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15Cl2NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.96871
Area:527.252
Solvation:-3.21259
Coulombic:-29.4649
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.201
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):3.75

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