ChemDB: Chemical Search
Download
Chemical ID: 5913900
Chemical ID:
5913900
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CC=C)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
InChi [?]:
InChI=1/C25H25FN2O3/c1-3-13-27(25(30)21-7-4-6-19(2)15-21)18-24(29)28(17-23-8-5-14-31-23)16-20-9-11-22(26)12-10-20/h3-12,14-15H,1,13,16-18H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,4,29,3,5,28,20,24,21,23,11,30,7,18,26,14,2,19,6,22,27,15,8,25,10,17,16,9,31/E:(9,10)(11,12)/rA:31nCCCCCCCCONCCCCCONCCCCCCCFCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25FN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3844 |
Area: | 612.267 |
Solvation: | -4.92227 |
Coulombic: | -47.7215 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 420.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.21 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|