Chemical ID: 5582185

c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2Cl)Cl
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

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