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Chemical ID: 5892967
Chemical ID:
5892967
Name [?]:
5-(2-fluorobenzoyl)amino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4)F
InChi [?]:
InChI=1/C23H26FN3O3/c24-20-8-2-1-7-18(20)23(29)26-16-9-10-21(27-11-3-4-12-27)19(14-16)22(28)25-15-17-6-5-13-30-17/h1-2,7-10,14,17H,3-6,11-13,15H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,27,28,22,21,6,3,11,12,26,29,23,15,19,10,20,5,14,4,13,16,7,30,18,9,25,17,8,24/E:(3,4)(11,12)/rA:30cCCCCCCCONCCCCCCCONCCCCCONCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s25s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26FN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.46669 |
Area: | 637.511 |
Solvation: | -6.47109 |
Coulombic: | -59.1356 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 411.469 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.63 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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