Chemical ID: 3961193

c1cc(c(cc1F)F)NC(=O)NC2(CCCCC2)C(=O)N3CCCC3
Chemical ID:
3961193
Name [?]:
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-1-ylcarbonylcyclohexyl)-urea
SMILES [?]:
c1cc(c(cc1F)F)NC(=O)NC2(CCCCC2)C(=O)N3CCCC3
InChi [?]:
InChI=1/C18H23F2N3O2/c19-13-6-7-15(14(20)12-13)21-17(25)22-18(8-2-1-3-9-18)16(24)23-10-4-5-11-23/h6-7,12H,1-5,8-11H2,(H2,21,22,25)
InChi Info:
AuxInfo=1/1/N:16,15,17,23,24,1,2,14,18,22,25,5,6,4,3,19,10,13,7,8,9,12,21,20,11/E:(2,3)(4,5)(8,9)(10,11)/rA:25nCCCCCCFFNCONCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s13;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23F2N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.4929
Area:510.612
Solvation:-4.2724
Coulombic:-58.7044
Bond Count [?]
All:27
Single:22
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.391
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.64
LogP (Chemaxon):2.04

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Descriptor Annotations

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