Chemical ID: 4057414

CCCCCNC(=O)Nc1cc(ccc1F)F
Chemical ID:
4057414
Name [?]:
3-(2,5-difluorophenyl)-1-pentyl-urea
SMILES [?]:
CCCCCNC(=O)Nc1cc(ccc1F)F
InChi [?]:
InChI=1/C12H16F2N2O/c1-2-3-4-7-15-12(17)16-11-8-9(13)5-6-10(11)14/h5-6,8H,2-4,7H2,1H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,13,14,5,11,12,15,10,7,17,16,6,9,8/rA:17nCCCCCNCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F2N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.98069
Area:436.07
Solvation:-2.92105
Coulombic:-42.6684
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.265
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):2.58

Name Annotations

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Descriptor Annotations

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