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Chemical ID: 7258782
Chemical ID:
7258782
Name [?]:
N-(4-ethoxyphenyl)-2-[methyl-[(2,3,4-trifluorophenyl)carbamoylmethyl]amino]-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CN(C)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C19H20F3N3O3/c1-3-28-13-6-4-12(5-7-13)23-16(26)10-25(2)11-17(27)24-15-9-8-14(20)18(21)19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,8,5,9,22,21,13,16,7,4,23,20,11,17,24,25,28,27,26,10,19,14,12,18,3/E:(4,5)(6,7)/rA:28cCCOCCCCCCNCOCNCCCONCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20F3N3O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.161 |
Area: | 601.04 |
Solvation: | -7.86501 |
Coulombic: | -62.1646 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.376 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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