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Chemical ID: 7258108
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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