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Chemical ID: 6032362
Chemical ID:
6032362
Name [?]:
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccc(cc2)F)C3CC3
InChi [?]:
InChI=1/C20H23FN2O3/c1-13-11-18(14(2)26-13)20(25)23(17-7-8-17)10-9-19(24)22-12-15-3-5-16(21)6-4-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,7,18,22,19,21,25,26,12,11,3,16,2,5,17,20,24,4,13,8,23,15,10,14,9,6/E:(3,4)(5,6)(7,8)/rA:26nCCCCCOCCONCCCONCCCCCCCFCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s10;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23FN2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0753 |
Area: | 574.493 |
Solvation: | -4.28702 |
Coulombic: | -47.4084 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 358.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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