Chemical ID: 6677221

c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccc(c(c2)Cl)Cl)Cl
Chemical ID:
6677221
Name [?]:
4-chloro-N-[(3,4-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-12-4-2-11(3-5-12)16(24)20-9-15(23)22-21-8-10-1-6-13(18)14(19)7-10/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:17,1,5,2,4,18,21,15,10,16,6,3,19,20,11,7,24,23,22,9,14,13,12,8/E:(2,3)(4,5)/rA:24nCCCCCCCONCCONNCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.974
Area:602.198
Solvation:-4.08098
Coulombic:-42.0904
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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