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Chemical ID: 5783325
Chemical ID:
5783325
Name [?]:
4-chloro-N-[1-(4-ethylphenyl)ethylideneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=NNC(=O)CNC(=O)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C19H20ClN3O2/c1-3-14-4-6-15(7-5-14)13(2)22-23-18(24)12-21-19(25)16-8-10-17(20)11-9-16/h4-11H,3,12H2,1-2H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,4,8,5,7,19,23,20,22,14,9,3,6,18,21,12,16,24,15,10,11,13,17/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCNNCOCNCOCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.571 |
Area: | 610.652 |
Solvation: | -3.69531 |
Coulombic: | -42.5669 |
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: | 4.83 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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