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Chemical ID: 3944472
Chemical ID:
3944472
Name [?]:
N-[(3-fluorophenyl)-(tert-butylcarbamoyl)methyl]-N-phenyl-furan-2-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)C(c1cccc(c1)F)N(c2ccccc2)C(=O)c3ccco3
InChi [?]:
InChI=1/C23H23FN2O3/c1-23(2,3)25-21(27)20(16-9-7-10-17(24)15-16)26(18-11-5-4-6-12-18)22(28)19-13-8-14-29-19/h4-15,20H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,19,21,11,27,10,12,18,22,26,28,14,9,13,17,25,8,6,23,2,15,5,16,7,24,29/E:(1,2,3)(5,6)(11,12)/rA:29cCCCCNCOCCCCCCCFNCCCCCCCOCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s8;s16;s17;d18;s19;d20;d17s21;s16;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23FN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.76032 |
Area: | 560.619 |
Solvation: | -4.25516 |
Coulombic: | -52.5429 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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