Chemical ID: 5858652

CC(C)C(C(=O)NN=Cc1ccccc1)NC(=O)c2cccc(c2)Cl
Chemical ID:
5858652
Name [?]:
N-[1-(benzylideneaminocarbamoyl)-2-methyl-propyl]-3-chloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H20ClN3O2/c1-13(2)17(22-18(24)15-9-6-10-16(20)11-15)19(25)23-21-12-14-7-4-3-5-8-14/h3-13,17H,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,21,11,15,20,22,24,9,2,10,19,23,4,17,5,25,8,16,7,18,6/E:(1,2)(4,5)(7,8)/rA:25cCCCCCONNCCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1492
Area:583.552
Solvation:-3.43964
Coulombic:-43.8337
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:357.834
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.97
LogP (Chemaxon):4.09

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