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Chemical ID: 4443007
Chemical ID:
4443007
Name [?]:
N-(5-chloro-2,4-dimethoxy-phenyl)-3-phenyl-propanamide
SMILES [?]:
COc1cc(c(cc1NC(=O)CCc2ccccc2)Cl)OC
InChi [?]:
InChI=1/C17H18ClNO3/c1-21-15-11-16(22-2)14(10-13(15)18)19-17(20)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:22,1,17,16,18,15,19,13,12,7,4,14,6,8,5,3,10,20,9,11,21,2/E:(4,5)(6,7)/rA:22nCOCCCCCCNCOCCCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s6;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76137 |
Area: | 529.092 |
Solvation: | -4.46593 |
Coulombic: | -35.7768 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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