Chemical ID: 5783321

c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccncc2)Cl
Chemical ID:
5783321
Name [?]:
4-chloro-N-(4-pyridylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccncc2)Cl
InChi [?]:
InChI=1/C15H13ClN4O2/c16-13-3-1-12(2-4-13)15(22)18-10-14(21)20-19-9-11-5-7-17-8-6-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,21,18,20,15,10,16,6,3,11,7,22,19,9,14,13,12,8/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCONCCONNCCCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.82033
Area:537.001
Solvation:-4.60468
Coulombic:-44.6228
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:316.742
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.54
LogP (Chemaxon):1.37

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