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Chemical ID: 7155624
Chemical ID:
7155624
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-formylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H14ClNO3/c1-11-2-5-13(8-15(11)17)18-16(20)10-21-14-6-3-12(9-19)4-7-14/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,4,15,19,6,20,12,2,17,5,14,7,10,8,9,21,11,13/E:(3,4)(6,7)/rA:21nCCCCCCCClNCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28239 |
Area: | 511.98 |
Solvation: | -5.51712 |
Coulombic: | -35.1613 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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