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Chemical ID: 6400377
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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