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Chemical ID: 4289231
Chemical ID:
4289231
Name [?]:
4-chloro-N-(3-pyridylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
c1cc(cnc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13ClN4O2/c16-13-5-3-12(4-6-13)15(22)18-10-14(21)20-19-9-11-2-1-7-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,18,20,6,4,7,12,3,16,19,10,14,22,5,13,8,9,11,15/E:(3,4)(5,6)/rA:22nCCCCNCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89606 |
Area: | 537.933 |
Solvation: | -4.55227 |
Coulombic: | -44.9632 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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