Chemical ID: 7258108

COc1ccccc1CCC(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
7258108
Name [?]:
N-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-propanamide
SMILES [?]:
COc1ccccc1CCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-21-15-5-3-2-4-11(15)6-9-16(20)19-12-7-8-13(17)14(18)10-12/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,15,16,10,19,8,14,17,18,3,11,21,20,13,12,2/rA:21nCOCCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15Cl2NO2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0091
Area:528.365
Solvation:-3.20008
Coulombic:-29.0948
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):4.4

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Descriptor Annotations

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