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Chemical ID: 5618551
Chemical ID:
5618551
Name [?]:
N-(1-adamantyl)-2,4-dichloro-N-methyl-benzamide
SMILES [?]:
CN(C(=O)c1ccc(cc1Cl)Cl)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H21Cl2NO/c1-21(17(22)15-3-2-14(19)7-16(15)20)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,16,19,21,9,18,14,22,17,15,20,8,5,10,3,13,12,11,2,4/E:(4,5,6)(8,9,10)(11,12,13)/rA:22nCNCOCCCCCCClClCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;s2;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21Cl2NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5379 |
Area: | 487.999 |
Solvation: | -1.6621 |
Coulombic: | -19.3572 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.69 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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