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Chemical ID: 6036973
Chemical ID:
6036973
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[2-(isopropylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2ccoc2
InChi [?]:
InChI=1/C18H21FN2O3/c1-13(2)20-17(22)7-9-21(18(23)15-8-10-24-12-15)11-14-3-5-16(19)6-4-14/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,12,16,13,15,7,21,8,22,10,24,2,11,20,14,5,18,17,4,9,6,19,23/E:(1,2)(3,4)(5,6)/rA:24nCCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21FN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92347 |
Area: | 539.446 |
Solvation: | -4.56269 |
Coulombic: | -47.7468 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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