Chemical ID: 4748039

CC(C)(C)NC(=O)c1cc(ccc1NC)Cl
Chemical ID:
4748039
Name [?]:
5-chloro-2-methylamino-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1cc(ccc1NC)Cl
InChi [?]:
InChI=1/C12H17ClN2O/c1-12(2,3)15-11(16)9-7-8(13)5-6-10(9)14-4/h5-7,14H,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,11,12,9,10,8,13,6,2,16,14,5,7/E:(1,2,3)/rA:16nCCCCNCOCCCCCCNCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClN2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.95772
Area:424.001
Solvation:-1.64231
Coulombic:-34.3974
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.729
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):2.52

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