Chemical ID: 6604284

CC(C)(C)N(Cc1ccccc1)C(=O)CCl
Chemical ID:
6604284
Name [?]:
N-benzyl-2-chloro-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)CCl
InChi [?]:
InChI=1/C13H18ClNO/c1-13(2,3)15(12(16)9-14)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,11,8,12,15,6,7,13,2,16,5,14/E:(1,2,3)(5,6)(7,8)/rA:16nCCCCNCCCCCCCCOCCl/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.97975
Area:408.659
Solvation:-2.23674
Coulombic:-17.788
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:239.741
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):2.66

Name Annotations

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Descriptor Annotations

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