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Chemical ID: 6016883
Chemical ID:
6016883
Name [?]:
2-fluoro-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isobutyl-benzamide
SMILES [?]:
CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C25H26F2N2O3/c1-18(2)14-29(25(31)22-7-3-4-8-23(22)27)17-24(30)28(16-21-6-5-13-32-21)15-19-9-11-20(26)12-10-19/h3-13,18H,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,21,20,27,30,12,16,13,15,22,4,10,18,6,2,11,14,19,26,31,7,24,17,32,9,5,8,25,23/E:(1,2)(9,10)(11,12)/rA:32nCCCCNCCONCCCCCCCFCCCCCOCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26F2N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80887 |
Area: | 614.896 |
Solvation: | -6.56353 |
Coulombic: | -49.0491 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 440.482 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.36 |
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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