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Chemical ID: 4285433
Chemical ID:
4285433
Name [?]:
2-(2,4-dichlorophenoxy)-N-(2-pyridylmethyl)acetamide
SMILES [?]:
c1ccnc(c1)CNC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2N2O2/c15-10-4-5-13(12(16)7-10)20-9-14(19)18-8-11-3-1-2-6-17-11/h1-7H,8-9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,17,7,11,16,5,18,13,9,20,19,4,8,10,12/rA:20nCCCNCCCNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19075 |
Area: | 517.931 |
Solvation: | -4.75753 |
Coulombic: | -33.6576 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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