Chemical ID: 6924206

CC(C)(C)c1ccc(cc1)C(=O)NCc2ccccc2Cl
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

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