Chemical ID: 3939337

c1cc(cc(c1)F)NC(=O)N2C3CCCC2CC(C3)NC(=O)c4ccc(cc4)F
Chemical ID:
3939337
Name [?]:
7-(4-fluorobenzoyl)amino-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)N2C3CCCC2CC(C3)NC(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H23F2N3O2/c23-15-9-7-14(8-10-15)21(28)25-18-12-19-5-2-6-20(13-18)27(19)22(29)26-17-4-1-3-16(24)11-17/h1,3-4,7-11,18-20H,2,5-6,12-13H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,14,6,2,13,15,24,28,25,27,4,19,17,23,26,5,3,18,12,16,21,9,29,7,20,8,11,22,10/E:(5,6)(7,8)(9,10)(12,13)(19,20)/rA:29cCCCCCCFNCONCCCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;s17;s12s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23F2N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.25
Area:594.822
Solvation:-4.62053
Coulombic:-59.7993
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.434
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):3.5

Name Annotations

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Descriptor Annotations

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