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Chemical ID: 3906561
Chemical ID:
3906561
Name [?]:
N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(C(c2ccccc2F)C(=O)NC3CCCC3)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H25FN2O3/c1-17-12-14-19(15-13-17)28(25(30)22-11-6-16-31-22)23(20-9-4-5-10-21(20)26)24(29)27-18-7-2-3-8-18/h4-6,9-16,18,23H,2-3,7-8H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,22,23,12,13,29,21,24,11,14,28,3,7,4,6,30,2,20,5,10,15,27,9,17,25,16,19,8,18,26,31/E:(2,3)(7,8)(12,13)(14,15)/rA:31cCCCCCCCNCCCCCCCFCONCCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s9;d17;s17;s19;s20;s21;s22;s20s23;s8;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25FN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4141 |
Area: | 611.659 |
Solvation: | -3.87742 |
Coulombic: | -53.0679 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 420.476 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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