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Chemical ID: 3939337
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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Experimental Annotations
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Descriptor Annotations
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