Chemical ID: 7361012

Cc1ccc(cc1OCC(=O)Nc2ccc(c(c2)Cl)OC(F)F)C(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue