Chemical ID: 6664326

CCCN(CCC)C(=O)Nc1ccc(cc1)F
Chemical ID:
6664326
Name [?]:
3-(4-fluorophenyl)-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C13H19FN2O/c1-3-9-16(10-4-2)13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,13,15,12,16,3,5,14,11,8,17,10,4,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCNCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19FN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.65551
Area:441.645
Solvation:-2.38561
Coulombic:-34.9192
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:238.301
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):3.36

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