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Chemical ID: 6924206
Chemical ID:
6924206
Name [?]:
N-[(2-chlorophenyl)methyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)NCc2ccccc2Cl
InChi [?]:
InChI=1/C18H20ClNO/c1-18(2,3)15-10-8-13(9-11-15)17(21)20-12-14-6-4-5-7-16(14)19/h4-11H,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,16,19,7,9,6,10,14,8,15,5,20,11,2,21,13,12/E:(1,2,3)(8,9)(10,11)/rA:21nCCCCCCCCCCCONCCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2108 |
Area: | 515.08 |
Solvation: | -1.66616 |
Coulombic: | -26.1119 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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