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Chemical ID: 5858652
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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