Chemical ID: 6313278

c1cc(cc(c1)F)CN(CCCN2CCOCC2)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6313278
Name [?]:
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholinopropyl)urea
SMILES [?]:
c1cc(cc(c1)F)CN(CCCN2CCOCC2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C21H25ClFN3O2/c22-18-5-2-7-20(15-18)24-21(27)26(16-17-4-1-6-19(23)14-17)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,24,11,2,25,6,23,12,10,14,18,15,17,4,27,8,3,26,5,22,19,28,7,21,13,9,20,16/E:(10,11)(12,13)/rA:28nCCCCCCFCNCCCNCCOCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25ClFN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0889
Area:634.524
Solvation:-4.77419
Coulombic:-48.4475
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.893
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.36
LogP (Chemaxon):3.72

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