Chemical ID: 6869743

Cc1ccccc1C(=O)OCC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
6869743
Name [?]:
[3-(trifluoromethyl)phenyl]carbamoylmethyl 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)OCC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3NO3/c1-11-5-2-3-8-14(11)16(23)24-10-15(22)21-13-7-4-6-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,3,18,16,6,20,11,2,19,15,7,12,8,21,22,23,24,14,13,9,10/E:(18,19,20)/rA:24nCCCCCCCCOOCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3NO3
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.17544
Area:517.616
Solvation:-3.76497
Coulombic:-60.4503
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.293
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.03

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