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Chemical ID: 4313636
Chemical ID:
4313636
Name [?]:
2,6-dichloro-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)NCc2cccnc2)Cl
InChi [?]:
InChI=1/C13H10Cl2N2O/c14-10-4-1-5-11(15)12(10)13(18)17-8-9-3-2-6-16-7-9/h1-7H,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,6,15,17,11,12,3,5,4,8,18,7,16,10,9/E:(4,5)(10,11)(14,15)/rA:18nCCCCCCClCONCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.98978 |
Area: | 460.014 |
Solvation: | -2.51057 |
Coulombic: | -27.583 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.137 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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