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Chemical ID: 6036972
Chemical ID:
6036972
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[2-(isobutylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)CNC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2ccoc2
InChi [?]:
InChI=1/C19H23FN2O3/c1-14(2)11-21-18(23)7-9-22(19(24)16-8-10-25-13-16)12-15-3-5-17(20)6-4-15/h3-6,8,10,13-14H,7,9,11-12H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,13,17,14,16,8,22,9,23,4,11,25,2,12,21,15,6,19,18,5,10,7,20,24/E:(1,2)(3,4)(5,6)/rA:25nCCCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;d22;s23;d21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23FN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56785 |
Area: | 566.69 |
Solvation: | -4.59941 |
Coulombic: | -48.3131 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 346.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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