Chemical ID: 5386497

Cc1ccc(cc1Cl)NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
5386497
Name [?]:
(3-chloro-4-methyl-phenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COC(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C17H13ClF3NO4/c1-10-2-5-12(8-14(10)18)22-15(23)9-25-16(24)11-3-6-13(7-4-11)26-17(19,20)21/h2-8H,9H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,4,18,20,6,12,2,16,5,19,7,10,14,23,8,24,25,26,9,11,15,13,22/E:(3,4)(6,7)(19,20,21)/rA:26nCCCCCCCClNCOCOCOCCCCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClF3NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6749
Area:568.82
Solvation:-3.54559
Coulombic:-73.4883
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.737
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.71
LogP (Chemaxon):4.32

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