Chemical ID: 5388922

c1cc(ccc1C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl)OC(F)(F)F
Chemical ID:
5388922
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
c1cc(ccc1C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl)OC(F)(F)F
InChi [?]:
InChI=1/C16H10Cl2F3NO4/c17-10-5-11(18)7-12(6-10)22-14(23)8-25-15(24)9-1-3-13(4-2-9)26-16(19,20)21/h1-7H,8H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,15,19,10,6,16,18,14,3,11,7,23,21,20,24,25,26,13,12,8,9,22/E:(1,2)(3,4)(6,7)(10,11)(17,18)(19,20,21)/rA:26nCCCCCCCOOCCONCCCCCCClClOCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;s3;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2F3NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1255
Area:588.941
Solvation:-3.59802
Coulombic:-73.3328
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.156
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.11
LogP (Chemaxon):4.37

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