Chemical ID: 4755734

CN(CCc1ccccn1)C(=O)Nc2cc(cc(c2)Cl)Cl
Chemical ID:
4755734
Name [?]:
3-(3,5-dichlorophenyl)-1-methyl-1-[2-(2-pyridyl)ethyl]urea
SMILES [?]:
CN(CCc1ccccn1)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O/c1-20(7-5-13-4-2-3-6-18-13)15(21)19-14-9-11(16)8-12(17)10-14/h2-4,6,8-10H,5,7H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,4,9,3,17,15,19,16,18,5,14,11,21,20,10,13,2,12/E:(9,10)(11,12)(16,17)/rA:21nCNCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15Cl2N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.1391
Area:533.674
Solvation:-2.20272
Coulombic:-35.9201
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.205
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.01
LogP (Chemaxon):3.43

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Descriptor Annotations

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