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Chemical ID: 3939558
Chemical ID:
3939558
Name [?]:
4-(4-fluorobenzoyl)amino-N,N-bis[4-(4-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(ccc1C(=O)NC2CCN(CC2)C(=O)Nc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C19H19ClFN3O2/c20-14-3-7-16(8-4-14)23-19(26)24-11-9-17(10-12-24)22-18(25)13-1-5-15(21)6-2-13/h1-8,17H,9-12H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,21,23,2,4,20,24,11,15,12,14,6,22,3,19,10,7,16,25,26,9,18,13,8,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCONCCCNCCCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClFN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7978 |
Area: | 586.825 |
Solvation: | -3.87281 |
Coulombic: | -56.4175 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.824 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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