Chemical ID: 6525581

CCN(CC)CCCNC(=O)Nc1ccccc1F
Chemical ID:
6525581
Name [?]:
1-(3-diethylaminopropyl)-3-(2-fluorophenyl)-urea
SMILES [?]:
CCN(CC)CCCNC(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C14H22FN3O/c1-3-18(4-2)11-7-10-16-14(19)17-13-9-6-5-8-12(13)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,17,14,8,6,18,13,10,19,9,12,3,11/E:(1,2)(3,4)/rA:19nCCNCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22FN3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.77483
Area:490.816
Solvation:-2.49558
Coulombic:-44.647
Bond Count [?]
All:19
Single:15
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:267.342
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):1.15

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