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Chemical ID: 4348946
Chemical ID:
4348946
Name [?]:
N-[(4-fluorophenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NC(c2ccc(cc2)F)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C23H21FN2O2/c24-20-13-11-19(12-14-20)23(25-21(27)15-17-7-3-1-4-8-17)26-22(28)16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,13,17,14,16,7,22,4,23,12,15,8,20,11,18,10,19,9,21/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(21,22)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCCONCCCCCCCFNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s11;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21FN2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63585 |
Area: | 610.803 |
Solvation: | -5.63422 |
Coulombic: | -46.5187 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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