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Chemical ID: 6399973
Chemical ID:
6399973
Name [?]:
N,N-dibenzyl-2-chloro-acetamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)CCl
InChi [?]:
InChI=1/C16H16ClNO/c17-11-16(19)18(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,18,7,9,4,10,16,19,8,17/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(14,15)/rA:19nCCCCCCCNCCCCCCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90562 |
Area: | 468.668 |
Solvation: | -2.81109 |
Coulombic: | -19.0974 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.757 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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