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Chemical ID: 7268531
Chemical ID:
7268531
Name [?]:
N-(3,4-diethoxyphenyl)-2-(2-fluorophenyl)amino-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)NC(=O)CNc2ccccc2F
InChi [?]:
InChI=1/C18H21FN2O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)21-18(22)12-20-15-8-6-5-7-14(15)19/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,21,20,22,19,6,5,8,16,7,23,18,4,9,14,24,17,13,15,3,10/rA:24nCCOCCCCCCOCCNCOCNCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21FN2O3 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35208 |
Area: | 559.914 |
Solvation: | -6.64576 |
Coulombic: | -50.6669 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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