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Chemical ID: 5891546
Chemical ID:
5891546
Name [?]:
N-benzyl-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C26H25F3N4O2/c27-26(28,29)19-9-6-10-20(15-19)31-25(35)32-21-11-12-23(33-13-4-5-14-33)22(16-21)24(34)30-17-18-7-2-1-3-8-18/h1-3,6-12,15-16H,4-5,13-14,17H2,(H,30,34)(H2,31,32,35)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,28,3,5,29,27,14,15,18,21,31,12,7,4,30,26,13,11,16,9,23,32,33,34,35,8,25,22,17,10,24/E:(2,3)(4,5)(7,8)(13,14)(27,28,29)/rA:35nCCCCCCCNCOCCCCCCNCCCCNCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s13;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25F3N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9146 |
Area: | 707.491 |
Solvation: | -4.77271 |
Coulombic: | -81.3766 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 482.498 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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