Chemical ID: 4755404

Cc1ccc(cc1Cl)NC(=O)N(C)CCc2ccccn2
Chemical ID:
4755404
Name [?]:
3-(3-chloro-4-methyl-phenyl)-1-methyl-1-[2-(2-pyridyl)ethyl]urea
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)N(C)CCc2ccccn2
InChi [?]:
InChI=1/C16H18ClN3O/c1-12-6-7-14(11-15(12)17)19-16(21)20(2)10-8-13-5-3-4-9-18-13/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,13,18,19,17,3,4,15,20,14,6,2,16,5,7,10,8,21,9,12,11/rA:21nCCCCCCCClNCONCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClN3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5826
Area:517.594
Solvation:-2.35727
Coulombic:-35.8759
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.786
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):3.38

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