Chemical ID: 4313636

c1cc(c(c(c1)Cl)C(=O)NCc2cccnc2)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue