Chemical ID: 4519253

c1cc(c(c(c1)Cl)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)Cl
Chemical ID:
4519253
Name [?]:
4-chloro-N-[(2,6-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-11-6-4-10(5-7-11)16(24)20-9-15(23)22-21-8-12-13(18)2-1-3-14(12)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,8,13,17,20,4,3,5,11,15,23,24,7,14,9,10,12,16/E:(2,3)(4,5)(6,7)(13,14)(18,19)/rA:24nCCCCCCClCNNCOCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7827
Area:590.337
Solvation:-3.97568
Coulombic:-42.2047
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:384.644
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.03
LogP (Chemaxon):3.72

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