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Chemical ID: 5648457
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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