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Chemical ID: 3939527
Chemical ID:
3939527
Name [?]:
4-(2-fluorobenzoyl)amino-N,N-bis[4-(2-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F)F
InChi [?]:
InChI=1/C19H19F2N3O2/c20-15-6-2-1-5-14(15)18(25)22-13-9-11-24(12-10-13)19(26)23-17-8-4-3-7-16(17)21/h1-8,13H,9-12H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,6,3,23,20,11,15,12,14,10,5,4,24,19,7,16,26,25,9,18,13,8,17/E:(9,10)(11,12)/rA:26nCCCCCCCONCCCNCCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19F2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14698 |
Area: | 551.418 |
Solvation: | -4.63847 |
Coulombic: | -60.2055 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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