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Chemical ID: 7365015
Chemical ID:
7365015
Name [?]:
2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)Nc2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)OC(F)F
InChi [?]:
InChI=1/C21H17ClF2N2O3/c22-18-12-16(8-11-19(18)29-21(23)24)26-20(27)13-28-17-9-6-15(7-10-17)25-14-4-2-1-3-5-14/h1-12,21,25H,13H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,13,20,10,12,21,24,15,4,8,19,11,23,22,16,27,25,28,29,7,18,17,14,26/E:(2,3)(4,5)(6,7)(9,10)(23,24)/rA:29nCCCCCCNCCCCCCOCCONCCCCCCClOCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClF2N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4148 |
Area: | 625.354 |
Solvation: | -6.21905 |
Coulombic: | -59.6526 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.821 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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