Chemical ID: 5858247

CC(C)C(C(=O)NN=Cc1ccncc1)NC(=O)c2cccc(c2)Cl
Chemical ID:
5858247
Name [?]:
3-chloro-N-[2-methyl-1-(4-pyridylmethyleneaminocarbamoyl)propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccncc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C18H19ClN4O2/c1-12(2)16(22-17(24)14-4-3-5-15(19)10-14)18(25)23-21-11-13-6-8-20-9-7-13/h3-12,16H,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,11,15,12,14,24,9,2,10,19,23,4,17,5,25,13,8,16,7,18,6/E:(1,2)(6,7)(8,9)/rA:25cCCCCCONNCCCCNCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.3511
Area:583.938
Solvation:-4.24736
Coulombic:-46.1951
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:358.822
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):2.78

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