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Chemical ID: 7273496
Chemical ID:
7273496
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1cc(cc(c1)C(=O)Nc2cccc(c2C)Cl)C
InChi [?]:
InChI=1/C16H16ClNO/c1-10-7-11(2)9-13(8-10)16(19)18-15-6-4-5-14(17)12(15)3/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,17,13,14,12,3,7,5,2,4,16,6,15,11,8,18,10,9/E:(1,2)(8,9)(10,11)/rA:19nCCCCCCCCONCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2065 |
Area: | 470.388 |
Solvation: | -1.55319 |
Coulombic: | -23.7525 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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