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Chemical ID: 5582185
Chemical ID:
5582185
Name [?]:
N-(benzylideneaminocarbamoylmethyl)-2,4-dichloro-benzamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c17-12-6-7-13(14(18)8-12)16(23)19-10-15(22)21-20-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,17,20,7,12,4,19,16,21,10,14,23,22,13,8,9,11,15/E:(2,3)(4,5)/rA:23nCCCCCCCNNCOCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96709 |
Area: | 562.667 |
Solvation: | -4.09958 |
Coulombic: | -41.6286 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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