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Chemical ID: 7361012
Chemical ID:
7361012
Name [?]:
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1OCC(=O)Nc2ccc(c(c2)Cl)OC(F)F)C(C)C
InChi [?]:
InChI=1/C19H20ClF2NO3/c1-11(2)13-5-4-12(3)17(8-13)25-10-18(24)23-14-6-7-16(15(20)9-14)26-19(21)22/h4-9,11,19H,10H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:25,26,1,3,4,14,15,6,18,9,24,2,5,13,17,16,7,10,21,19,22,23,12,11,8,20/E:(1,2)(21,22)/rA:26nCCCCCCCOCCONCCCCCCClOCFFCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s21;s21;s5;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClF2NO3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09253 |
Area: | 586.822 |
Solvation: | -5.57803 |
Coulombic: | -48.6145 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.817 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.56 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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