Chemical ID: 3944472

CC(C)(C)NC(=O)C(c1cccc(c1)F)N(c2ccccc2)C(=O)c3ccco3
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

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Descriptor Annotations

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