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Chemical ID: 5519919
Chemical ID:
5519919
Name [?]:
N-(4-ethoxyphenyl)-2-[propyl-[(2,3,4-trifluorophenyl)carbamoylmethyl]amino]-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1ccc(cc1)OCC)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C21H24F3N3O3/c1-3-11-27(12-18(28)25-14-5-7-15(8-6-14)30-4-2)13-19(29)26-17-10-9-16(22)20(23)21(17)24/h5-10H,3-4,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,10,14,11,13,24,23,3,5,18,9,12,25,22,6,19,26,27,30,29,28,8,21,4,7,20,15/E:(5,6)(7,8)/rA:30cCCCNCCONCCCCCCOCCCCONCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s4;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24F3N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53378 |
Area: | 652.376 |
Solvation: | -7.77563 |
Coulombic: | -62.7947 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.429 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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