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Chemical ID: 5892902
Chemical ID:
5892902
Name [?]:
5-(2-fluorobenzoyl)amino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCC4)F
InChi [?]:
InChI=1/C24H23FN4O2/c25-21-8-2-1-7-19(21)24(31)28-18-9-10-22(29-12-3-4-13-29)20(14-18)23(30)27-16-17-6-5-11-26-15-17/h1-2,5-11,14-15H,3-4,12-13,16H2,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,22,21,6,3,11,12,23,27,30,15,25,19,20,10,5,14,4,13,16,7,31,24,18,9,26,17,8/E:(3,4)(12,13)/rA:31nCCCCCCCONCCCCCCCONCCCCCNCNCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s13;s26;s27;s28;s26s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23FN4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2376 |
Area: | 649.653 |
Solvation: | -6.00376 |
Coulombic: | -55.9932 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.464 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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